chempirical

N(1)-Methyl-2-pyridone-5-carboxylic acid

C7H7NO3CAS 3719-45-7153.14 g/mol

Open in Covalent MOL file
NOOOH
Carboxylic acid

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
logP
0.08Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 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
3719-45-7
SMILES
CN1C=C(C=CC1=O)C(=O)O
InChIKey
RGZCKPXTNJAWMR-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4H,1H3,(H,10,11)

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Names and synonyms

1 names
  • 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Work with N(1)-Methyl-2-pyridone-5-carboxylic acid

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

Terephthalic acid100-21-048 % similar 1-Methyl-1H-indole-5-carboxylic acid186129-25-948 % similar 4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-444 % similar p-Toluic acid99-94-544 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-644 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-444 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-244 % similar 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-843 % similar

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

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0

Elsewhere

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