6-Chloro-5-fluoro-pyridine-2-carboxylic acid

C₆H₃ClFNO₂CAS 860296-24-8175.54 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
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

860296-24-8

SMILES

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

InChIKey

JHFKXHUKNYFWJM-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClFNO2/c7-5-3(8)1-2-4(9-5)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-5-fluoropyridine-2-carboxylic acid

Work with 6-Chloro-5-fluoro-pyridine-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

2-Pyridinecarboxylic acid, 5,6-dichloro-88912-24-765 % similar 2,6-Dichloro-5-fluoronicotinic acid82671-06-557 % similar 2,6-Dichloro-5-fluoronicotinic acid8271-06-557 % similar 6-Fluoropyridine-2-carboxylic acid402-69-754 % similar Dipicolinic acid499-83-253 % similar 6-Chloro-3-fluoropyridine-2-carboxylic acid884494-76-253 % similar 2-Chloro-4-fluoropyridine-3-carboxylic acid929022-76-451 % similar 6-Chloropicolinic acid4684-94-050 % 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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