chempirical

5-Hydroxypyridine-2-carboxylic acid

C6H5NO3CAS 15069-92-8139.11 g/mol

Open in Covalent MOL file
NHOOOH
Carboxylic acidPhenol

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
logP
0.49Crippen estimate
Polar surface area
70.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
15069-92-8
SMILES
C1=CC(=NC=C1O)C(=O)O
InChIKey
CGRRUFNHHQCLDZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h1-3,8H,(H,9,10)

Weigh it out

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Work with 5-Hydroxypyridine-2-carboxylic acid

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

5-Fluoropyridine-2-carboxylic acid107504-08-559 % similar 5-Aminopicolinic acid24242-20-459 % similar 2,5-Pyrazinedicarboxylic acid122-05-459 % similar Methyl 5-hydroxy-2-pyridinecarboxylate30766-12-254 % similar 5-Cyanopicolinic acid53234-55-254 % similar 5-Ethylpicolinic acid770-08-154 % similar 5-(Trifluoromethyl)pyridine-2-carboxylic acid80194-69-054 % similar 5-Methyl 2,5-pyridinedicarboxylate17874-79-250 % similar

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

Same formula

4-Nitrophenol100-02-7 3-Hydroxy-4-pyridinecarboxylic acid10128-71-9 Isonicotinic acid N-oxide13602-12-5 6-Hydroxypicolinic acid19621-92-2 Nicotinic acid N-oxide2398-81-4 5-Hydroxynicotinic acid27828-71-3 6-Hydroxynicotinic acid5006-66-6 3-Nitrophenol554-84-7

Elsewhere

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