chempirical

Ethyl 2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

C9H11NO3CAS 3424-43-9181.19 g/mol

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OONHO
Ester

Properties

Molecular formula
C9H11NO3
Molar mass
181.19 g/mol
Exact mass
181.0739 Da
logP
0.86Crippen estimate
Polar surface area
59.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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
3424-43-9
SMILES
CCOC(=O)C1=C(NC(=O)C=C1)C
InChIKey
UEZSEPUDNLUVNJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO3/c1-3-13-9(12)7-4-5-8(11)10-6(7)2/h4-5H,3H2,1-2H3,(H,10,11)

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Names and synonyms

1 names
  • Ethyl 6-hydroxy-2-methylpyridine-3-carboxylate

Work with Ethyl 2-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

Diethyl phthalate84-66-251 % similar Ethyl 2-methylbenzoate87-24-149 % similar Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate53135-24-348 % similar Ethyl 4,6-dihydroxynicotinate6975-44-648 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-348 % similar 2,4-Dimethyl-3,5-dicarbethoxypyrrole2436-79-547 % similar Diethyl terephthalate636-09-946 % similar Ethyl 5-bromo-6-methyl-2-oxo-1H-pyrazine-3-carboxylate1269026-22-346 % similar

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

Same formula

(2R,3S)-3-Phenylisoserine136561-53-0 2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 3,5-Dimethoxybenzamide17213-58-0 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-4 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 2-amino-5-methoxybenzoate2475-80-1

Elsewhere

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