5-Amino-2-chloroisonicotinic acid

C₆H₅ClN₂O₂CAS 58483-95-7172.57 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₅ClN₂O₂
Molar mass: 172.57 g/mol
Exact mass: 172.0040 Da
logP: 1.02Crippen estimate
Polar surface area: 76.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

58483-95-7

SMILES

Nc1cnc(Cl)cc1C(=O)O

InChIKey

WCZUTMZMEAPPIX-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)

Weigh it out

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

Names and synonyms

5 names

4-Pyridinecarboxylic acid, 5-amino-2-chloro-
5-Amino-2-chloro-4-pyridinecarboxylic acid
3-Amino-6-chloroisonicotinic acid
5-Amino-2-chloropyridine-4-carboxylic acid
5-Amino-2-chloro-isonicotinic acid

Work with 5-Amino-2-chloroisonicotinic 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

2,5-Dichloroisonicotinic acid88912-26-966 % similar 5-Amino-2-fluoro-isonicotinic acid171178-43-164 % similar 5-Bromo-2-chloroisonicotinic acid886365-31-762 % similar 4,6-Dichloronicotinic acid73027-79-961 % similar 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-559 % similar 2,5-Diaminoterephthalic acid945-30-258 % similar 6-Chloro-4-methoxy-3-pyridinecarboxylic acid716362-10-657 % similar 2-Amino-4,5-dichlorobenzoic acid20776-61-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 2-Chloro-4-nitroaniline121-87-9 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook