chempirical

Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate

C9H11NO4CAS 70254-52-3197.19 g/mol

Open in Covalent MOL file
OONHOHO
EsterPhenol

Properties

Molecular formula
C9H11NO4
Molar mass
197.19 g/mol
Exact mass
197.0688 Da
logP
0.57Crippen estimate
Polar surface area
79.4 Ų
H-bond donors / acceptors
2 / 4
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
70254-52-3
SMILES
CCOC(=O)C1=C(C=C(NC1=O)C)O
InChIKey
CMCZAWPDHHYFPU-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO4/c1-3-14-9(13)7-6(11)4-5(2)10-8(7)12/h4H,3H2,1-2H3,(H2,10,11,12)

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Names and synonyms

1 names
  • Ethyl 2,4-dihydroxy-6-methylpyridine-3-carboxylate

Work with Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate

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

2,4-Dihydroxy-6-methylpyridine-3-carboxylic acid846557-80-058 % similar Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-255 % similar Ethyl orsellinate2524-37-054 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-250 % similar Ethyl 2-hydroxy-6-methylbenzoate6555-40-449 % similar Ethyl 4,6-dihydroxynicotinate6975-44-647 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-347 % similar Ethyl protocatechuate3943-89-347 % similar

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

Same formula

2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide24207-41-8 4-Hydroxy-3,5-dimethoxybenzamide3086-72-4 2-Amino-4,5-dimethoxybenzoic acid5653-40-7 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-pentanoic acid57078-99-6 D-Dopa5796-17-8 DOPA59-92-7 Dl-dopa63-84-3 4,5-Dimethoxy-2-nitrotoluene7509-11-7

Elsewhere

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