6-Chloro-3-fluoropyridine-2-carboxylic acid

C₆H₃ClFNO₂CAS 884494-76-2175.54 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

884494-76-2

SMILES

C1=CC(=NC(=C1F)C(=O)O)Cl

InChIKey

YGDRQLYJJGEHCC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

6-Chloro-3-fluoro-pyridine-2-carboxylic acid

Work with 6-Chloro-3-fluoropyridine-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-carboxylic acid866807-27-461 % similar 3-Bromo-6-chloropyridine-2-carboxylic acid929000-66-861 % similar 6-Chloro-5-fluoro-pyridine-2-carboxylic acid860296-24-853 % similar 3-Fluoropyridine-2-carboxylic acid152126-31-351 % similar 2,6-Dichloronicotinic acid38496-18-351 % similar 6-Chloropicolinic acid4684-94-050 % similar 3-Chloro-2,6-difluorobenzoic acid225104-76-749 % 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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