chempirical

2-Hydroxyisonicotinic acid

C6H5NO3CAS 22282-72-0139.11 g/mol

Open in Covalent MOL file
NHOOOH
Carboxylic acid

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
logP
0.07Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

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
22282-72-0
SMILES
C1=CNC(=O)C=C1C(=O)O
InChIKey
BXHCJLRTXPHUGH-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)

Weigh it out

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

Work with 2-Hydroxyisonicotinic 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

1H-Indole-5-carboxylic acid1670-81-154 % similar 1H-Indole-6-carboxylic acid1670-82-254 % similar Methyl 2-oxo-1,2-dihydropyridine-4-carboxylate89937-77-953 % similar Isophthalic acid121-91-550 % similar Pyrrole-3-carboxylic acid931-03-350 % similar 2,6-Naphthalenedicarboxylic acid1141-38-448 % similar 2,4-Dihydroxypyridine84719-31-347 % similar Terephthalic acid100-21-046 % 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 5-Hydroxypyridine-2-carboxylic acid15069-92-8 6-Hydroxypicolinic acid19621-92-2 4-Hydroxypyridine-2-carboxylic acid22468-26-4 Nicotinic acid N-oxide2398-81-4 5-Hydroxynicotinic acid27828-71-3

Elsewhere

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