6-Methyl-3-pyridinecarboxaldehyde

C7H7NOCAS 53014-84-9121.14 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

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
53014-84-9
SMILES
CC1=NC=C(C=C1)C=O
InChIKey
IMWMEIWYPWVABQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO/c1-6-2-3-7(5-9)4-8-6/h2-5H,1H3

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Names and synonyms

1 names
  • 3-Formyl-6-methyl-pyridine

Work with 6-Methyl-3-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

2,2'-Bipyridyl-5,5'-dialdehyde135822-72-959 % similar 2-Methyl-5-vinylpyridine140-76-159 % similar 6-Hydroxynicotinaldehyde106984-91-253 % similar 6-Bromo-3-pyridinecarboxaldehyde149806-06-453 % similar 2-Chloropyridine-5-carbaldehyde23100-12-153 % similar 6-Aminonicotinaldehyde69879-22-753 % similar 6-Methoxypyridine-3-carbaldehyde65873-72-553 % similar 2-Methylisonicotinaldehyde63875-01-452 % 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 4-Methylpyridine-2-carbaldehyde53547-60-7

Elsewhere

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