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

C₆H₃ClFNO₂CAS 929022-76-4175.54 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

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 the 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

929022-76-4

SMILES

C1=CN=C(C(=C1F)C(=O)O)Cl

InChIKey

GXDFQGOVWALHAS-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClFNO2/c7-5-4(6(10)11)3(8)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-4-fluoronicotinic acid

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

2,4-Dichloronicotinic acid262423-77-866 % similar 2-Chloro-3-fluoropyridine-4-carboxylic acid628691-93-058 % similar 2,6-Difluorobenzoic acid385-00-258 % similar 3,6-Difluorophthalic acid651-97-856 % similar 4,6-Dichloropyrimidine-5-carboxylic acid87600-98-456 % similar 2-Chloro-3,6-difluorobenzoic acid287172-74-156 % similar 2-Chloro-6-fluorobenzoic acid434-75-354 % similar 2,3-Dichloropyridine-4-carboxylic acid184416-84-053 % 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

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