3-Amino-6-chloropyridine-2-carboxylic acid

C₆H₅ClN₂O₂CAS 866807-27-4172.57 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 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

866807-27-4

SMILES

C1=CC(=NC(=C1N)C(=O)O)Cl

InChIKey

TXGSKLHDWJCBDC-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-Amino-6-chloropyridine-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

Clopyralid1702-17-665 % similar 3-Amino-6-chloropyridine-2-carboxamide175358-01-763 % similar Aminopyralid150114-71-962 % similar 6-Chloro-3-fluoropyridine-2-carboxylic acid884494-76-261 % similar 3-Bromo-6-chloropyridine-2-carboxylic acid929000-66-861 % similar 3-Amino-6-chloropyrazine-2-carboxylic acid2727-13-155 % similar 3-Aminopicolinic acid1462-86-851 % similar 2,6-Dichloronicotinic acid38496-18-351 % 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

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