3-(5-Chloro-2-fluorobenzoyl)isonicotinic acid

HCID 19974767
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Basic information

Standard SMILES
O=C(O)c1ccncc1C(=O)c1cc(Cl)ccc1F
InChIKey
CZQIVSTYIZEKGB-UHFFFAOYSA-N
Molecular formula
C13H7ClFNO3
Average molar mass
279.65 g/mol

Names & identifiers

Preferred name
3-(5-Chloro-2-fluorobenzoyl)isonicotinic acid
IUPAC
3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid

Names & synonyms

SCHEMBL7804698CZQIVSTYIZEKGB-UHFFFAOYSA-N3-(5-chloro-2-fluorobenzoyl)isonicotinic acid

Database identifiers

PubChem CID
19974767

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
67.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19

Related reactions

4 records
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Compound notes

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