chempirical

Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate

C7H7NO3CAS 66171-50-4153.14 g/mol

Open in Covalent MOL file
OONHO
Ester

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
logP
0.16Crippen estimate
Polar surface area
59.2 Ų
H-bond donors / acceptors
1 / 3
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
66171-50-4
SMILES
COC(=O)C1=CNC(=O)C=C1
InChIKey
JTVVPKLHKMKWNN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h2-4H,1H3,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Methyl 6-oxo-1,6-dihydro-3-pyridinecarboxylate

Work with Methyl 6-oxo-1,6-dihydropyridine-3-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

Dimethyl terephthalate120-61-659 % similar Methyl 2-oxo-1,2-dihydropyridine-4-carboxylate89937-77-958 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-553 % similar Methyl 5-bromo-6-hydroxynicotinate381247-99-050 % similar Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate63001-30-950 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-350 % similar Methyl 5-bromo-2-hydroxyisonicotinate913836-17-650 % similar Methyl p-toluate99-75-250 % 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

PubChem CAS Common Chemistry NIST WebBook