2-Chloro-3-fluoropyridine-4-carboxylic acid

C₆H₃ClFNO₂CAS 628691-93-0175.54 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₃ClFNO₂
Molar mass: 175.54 g/mol
Exact mass: 174.9836 Da
logP: 1.57Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 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

628691-93-0

SMILES

C1=CN=C(C(=C1C(=O)O)F)Cl

InChIKey

NWNWBLRKHOVSEL-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2-Chloro-3-fluoroisonicotinic acid

Work with 2-Chloro-3-fluoropyridine-4-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

2,3-Dichloropyridine-4-carboxylic acid184416-84-066 % similar 2,3-Difluoropyridine-4-carboxylic acid851386-31-766 % similar 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-459 % similar 2-Chloronicotinic acid2942-59-858 % similar 2-Chloro-4-fluoropyridine-3-carboxylic acid929022-76-458 % similar 4-Chloro-2,3-difluorobenzoic acid150444-94-354 % similar 3-Chloro-2-fluorobenzoic acid161957-55-754 % similar 2,4-Dichloronicotinic acid262423-77-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-fluoro-3-nitrobenzene2106-49-2 2-Chloro-4-fluoro-1-nitrobenzene2106-50-5 2-Chloro-1-fluoro-3-nitrobenzene21397-07-9 1-Chloro-4-fluoro-2-nitrobenzene345-17-5 4-Chloro-1-fluoro-2-nitrobenzene345-18-6 3-Chloro-4-fluoronitrobenzene350-30-1 1-Chloro-2-fluoro-4-nitrobenzene350-31-2 6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook