SDF/Mol File of 6-methylnicotinaldehyde (C7H7NO)

Structure Data File (SDF/MOL File) Description

---

chemical table area

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying 6-methylnicotinaldehyde Molecule

• Chemical structure of 6-methylnicotinaldehyde

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 6-methylnicotinaldehyde is available in chemical structure page of 6-methylnicotinaldehyde, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 6-methylnicotinaldehyde

  The molecular weight of 6-methylnicotinaldehyde is available in molecular weight page of 6-methylnicotinaldehyde, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 6-methylnicotinaldehyde

  The chemical formula of 6-methylnicotinaldehyde is given in chemical formula page of 6-methylnicotinaldehyde, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 6-methylnicotinaldehyde

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 6-methylnicotinaldehyde is:

  InChI=1S/C7H7NO/c1-6-2-3-7(5-9)4-8-6/h2-5H,1H3

  It can provide a standard way to encode the molecular information of 6-methylnicotinaldehyde to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 6-methylnicotinaldehyde is:

  InChIKey=IMWMEIWYPWVABQ-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 6-methylnicotinaldehyde, but it needs to be linked to the full InChI to get back to the original structure of the 6-methylnicotinaldehyde since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 6-methylnicotinaldehyde

  The 6-methylnicotinaldehyde compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 6-methylnicotinaldehyde including the registry numbers are listed below, if available:

  • EN300-52398
  • BBV-36831126
  • 6-methylnicotinaldehyde;6-Methyl-pyridine-3-carbaldehyde
  • J-518925
  • I02-0986
  • 3-Formyl-6-methylpyridine; 5-Formyl-2-picoline
  • C-1881
  • W6750
  • M2654
  • 5-Formyl-2-picoline/6-methylnicotinaldehyde

  • 4CH-004239
  • 6-Methylpyridine-3-carboxaldehyde, 97%
  • ANW-51652
  • CS-D0589
  • (6-methyl-pyridin-3-yl)-methanone
  • 6-methyl-3-pyridin-carboxaldehyde
  • 2-Methyl-5-pyridinecarboxaldehyde
  • 2-methylpyridine-5-carboxaldehyde
  • 6-methyl-3-pyridincarboxaldehyde
  • 2-methylpyridin-5-carboxaldehyde

  • 6-methyl-3-pyridinecarbaldehyde
  • 6-methyl-3-pyridine aldehyde
  • 2-methylpyridine-5-aldehyde
  • 6-methyl-3-formylpyridine
  • 6-methyl nicotinaldehyde
  • MFCD08272279
  • 6-METHYL-3-PYRIDINECARBOXALDEHYDE
  • 6-Methylpyridyl-3-carboxaldehyde
  • 3-PYRIDINECARBOXALDEHYDE, 6-METHYL-
  • 3-formyl-6-methylpyridine

  • 6-Methylpyridine-3-carboxaldehyde
  • 5-FORMYL-2-PICOLINE
  • 5-Formyl-2-methylpyridine
  • 3-Formyl-6-Methyl-Pyridine
  • 6-Methyl-pyridine-3-carbaldehyde
  • 2-Methyl-5-formylpyridine
  • 53014-84-9
  • 6-methylnicotinaldehyde

---

6-methylnicotinaldehyde Identification Summary Frequently Asked Questions (FAQs)

What’s the 6-methylnicotinaldehyde formula?
C7H7NO
How many atoms and what elements are included in the 6-methylnicotinaldehyde molecule?
16 atom(s) - 7 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 6-methylnicotinaldehyde structure?
16 bond(s) - 9 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aldehyde(s) (aromatic), and 1 Pyridine(s)
What’s the 6-methylnicotinaldehyde’s molar mass?
121.13658 g/mol
What’s the SMILES structure of 6-methylnicotinaldehyde?
Cc1ccc(C=O)cn1
What’s the InChI code of 6-methylnicotinaldehyde?
InChI=1S/C7H7NO/c1-6-2-3-7(5-9)4-8-6/h2-5H,1H3
What’s the InChIKey format of 6-methylnicotinaldehyde?
IMWMEIWYPWVABQ-UHFFFAOYSA-N

95 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).