2-Chloro-5-fluoronicotinic acid

C6H3ClFNO2CAS 38186-88-8175.54 g/mol

Open in Covalent MOL file
OHOFNCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H3ClFNO2
Molar mass
175.54 g/mol
Exact mass
174.9836 Da
Melting point
132.9–134 °C
logP
1.57Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
38186-88-8
SMILES
O=C(O)c1cc(F)cnc1Cl
InChIKey
WMADTZFXZAITIR-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO2/c7-5-4(6(10)11)1-3(8)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

3 names
  • 3-Pyridinecarboxylic acid, 2-chloro-5-fluoro-
  • 2-Chloro-5-fluoro-3-pyridinecarboxylic acid
  • 2-Chloro-5-fluoropyridine-3-carboxylic acid

Work with 2-Chloro-5-fluoronicotinic 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

2,5-Dichloropyridine-3-carboxylic acid59782-85-366 % similar 5-Bromo-2-chloronicotinic acid29241-65-462 % similar 2-Bromo-5-fluoropyridine-3-carboxylic acid38186-89-962 % similar 2-Chloro-5-(trifluoromethyl)nicotinic acid505084-59-362 % similar 5-Fluoro-2-methoxynicotinic acid884494-82-059 % similar Methyl2-chloro-5-fluoronicotinate847729-27-557 % similar 2,6-Dichloro-5-fluoronicotinic acid82671-06-555 % similar 2,6-Dichloro-5-fluoronicotinic acid8271-06-555 % 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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