N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide

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Basic information

CAS: 794556-23-3
Standard SMILES: O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccn1
InChIKey: SCLTWTGGSMDTAB-UHFFFAOYSA-N
Molecular formula: C13H9ClF2N2O2
Average molar mass: 298.67 g/mol
Monoisotopic mass: 298.0320616

Names & identifiers

Preferred name: N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
IUPAC: N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide

Names & synonyms

MLS000771256N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamideSMR000376144CHEMBL1390388BDBM49964cid_2579010DTXSID101329901HMS2689E14AKOS017042730794556-23-3AB00578788-04N-[3-chloro-4-(difluoromethoxy)phenyl]picolinamide

Show more names

Z27381640N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridinecarboxamideN-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]pyridine-2-carboxamide

Database identifiers

CAS: 794556-23-3
PubChem CID: 2579010
DTXSID: DTXSID101329901
ChEMBL: CHEMBL1390388

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 333

Experimental & physicochemical properties

Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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