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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Type any one amount. The others follow from the molar mass.

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-Bromopyridine-2-carboxylic acid30766-11-165 % similar 2,5-Pyridinedicarboxylic acid100-26-563 % similar 5-Fluoropyridine-2-carboxylic acid107504-08-559 % similar 5-Aminopicolinic acid24242-20-459 % similar 5-Chloropyridine-2-carboxylic acid86873-60-159 % similar 2,5-Pyrazinedicarboxylic acid122-05-459 % similar Methyl 5-hydroxypyridine-2-carboxylate30766-12-254 % similar 5-Cyanopyridine-2-carboxylic acid53234-55-254 % 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 2-Hydroxyisonicotinic acid22282-72-0 4-Hydroxypyridine-2-carboxylic acid22468-26-4 Nicotinic acid N-oxide2398-81-4 5-Hydroxynicotinic acid27828-71-3

Elsewhere

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