chempirical

Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate

C7H7NO3CAS 10128-91-3153.14 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

Identifiers

CAS number
10128-91-3
SMILES
COC(=O)C1=CC=CNC1=O
InChIKey
SILBTMNCGYLTOK-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h2-4H,1H3,(H,8,9)

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Names and synonyms

1 names
  • Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate

Work with Methyl 2-oxo-1,2-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

Methyl 2-pyrrolecarboxylate1193-62-059 % similar Dimethyl phthalate131-11-358 % similar Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-153 % similar Methyl N,N-dimethylanthranilate10072-05-650 % similar Methyl 2-bromobenzoate610-94-650 % similar Methyl 2-methylbenzoate89-71-450 % similar Methyl salicylate119-36-849 % similar Methyl anthranilate134-20-349 % similar

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

Same formula

4-Nitroanisole100-17-4 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 3-Methyl-4-nitrophenol2581-34-2

Elsewhere

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