5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide

C14H10Cl2F2N2O — CID 90443635

IUPAC5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(CC(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C14H10Cl2F2N2O/c15-9-1-4-12(19-7-9)14(21)20-10-2-3-11(16)8(5-10)6-13(17)18/h1-5,7,13H,6H2,(H,20,21)
InChIKeyNJDKUNOLHBJWJD-UHFFFAOYSA-N
MW331.15 g/mol
LogP4.45
Rot. Bonds4

About 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide

5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide (PubChem CID 90443635) has the molecular formula C14H10Cl2F2N2O and a molecular weight of 331.15 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide
PubChem CID90443635
Molecular FormulaC14H10Cl2F2N2O
Molecular Weight331.15 g/mol
Exact Mass330.01
IUPAC Name5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(CC(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C14H10Cl2F2N2O/c15-9-1-4-12(19-7-9)14(21)20-10-2-3-11(16)8(5-10)6-13(17)18/h1-5,7,13H,6H2,(H,20,21)
InChIKeyNJDKUNOLHBJWJD-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
CID 113238388
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(3,4-dichlorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189570
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
N-(3-chloro-4-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189536
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide (CID 90443635) is 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(CC(F)F)c1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is NJDKUNOLHBJWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O/c15-9-1-4-12(19-7-9)14(21)20-10-2-3-11(16)8(5-10)6-13(17)18/h1-5,7,13H,6H2,(H,20,21).
What are the key properties of 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide?
5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 331.15 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-chloro-3-(2,2-difluoroethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 90443635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).