chempirical

3-Methyl-2-pyridinecarboxaldehyde

C7H7NOCAS 55589-47-4121.14 g/mol

Open in Covalent MOL file
NO
Aldehyde

Properties

Molecular formula
C7H7NO
Molar mass
121.14 g/mol
Exact mass
121.0528 Da
logP
1.20Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55589-47-4
SMILES
CC1=C(N=CC=C1)C=O
InChIKey
JDYVLWWFVYNMTN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO/c1-6-3-2-4-8-7(6)5-9/h2-5H,1H3

Weigh it out

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Names and synonyms

1 names
  • 3-Methylpyridine-2-carboxaldehyde

Work with 3-Methyl-2-pyridinecarboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-2-pyridinecarboxaldehyde405174-97-257 % similar 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-455 % similar 3-Fluoro-2-pyridinecarboxaldehyde31224-43-855 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-150 % similar 2-Methylpyridine-3-carbaldehyde60032-57-750 % similar 2,6-Dimethylbenzaldehyde1123-56-448 % similar 2,3-Lutidine583-61-948 % similar 3-Nitropyridine-2-carbaldehyde10261-94-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Formanilide103-70-8 4-Acetylpyridine1122-54-9 2-Acetylpyridine1122-62-9 6-Methyl-2-pyridinecarboxaldehyde1122-72-1 3-Acetylpyridine350-03-8 4-Methylnicotinaldehyde51227-28-2 2-Aminobenzaldehyde529-23-7 6-Methyl-3-pyridinecarboxaldehyde53014-84-9

Elsewhere

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