chempirical

Methyl 2-acetylpyridine-4-carboxylate

C9H9NO3CAS 138715-82-9179.17 g/mol

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Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
logP
1.07Crippen estimate
Polar surface area
56.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
138715-82-9
SMILES
CC(=O)C1=NC=CC(=C1)C(=O)OC
InChIKey
VKPFTQQVEGRJCF-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c1-6(11)8-5-7(3-4-10-8)9(12)13-2/h3-5H,1-2H3

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Names and synonyms

1 names
  • Methyl 2-acetylisonicotinate

Work with Methyl 2-acetylpyridine-4-carboxylate

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

Methyl 2-chloroisonicotinate58481-11-159 % similar Methyl isonicotinate2459-09-853 % similar 2-Acetyl-4-methylpyridine59576-26-053 % similar Methyl 4-methoxypicolinate29681-43-451 % similar Dimethyl isophthalate1459-93-450 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-450 % similar Methyl picolinate2459-07-649 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-349 % similar

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

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 1-(3-Nitrophenyl)-1-propanone17408-16-1 3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0 2-Methoxy-β-nitrostyrene3316-24-3

Elsewhere

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