chempirical

Methyl 5-hydroxypyridine-3-carboxylate

C7H7NO3CAS 30766-22-4153.14 g/mol

Open in Covalent MOL file
OONOH
EsterPhenol

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
logP
0.57Crippen estimate
Polar surface area
59.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
30766-22-4
SMILES
COC(=O)C1=CC(=CN=C1)O
InChIKey
KJJSHOHQQHACLE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3

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Names and synonyms

1 names
  • Methyl 5-hydroxynicotinate

Work with Methyl 5-hydroxypyridine-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 3,5-pyridinedicarboxylate4591-55-373 % similar Dimethyl 5-hydroxyisophthalate13036-02-766 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-966 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-563 % similar Methyl 5-methylpyridine-3-carboxylate29681-45-663 % similar Methyl pyrimidine-5-carboxylate34253-01-559 % similar Methyl 3-hydroxybenzoate19438-10-958 % similar Methyl 5-bromo-3-hydroxybenzoate192810-12-157 % 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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