N-(2,4-difluorophenyl)pyridine-3-carboxamide

C12H8F2N2O — CID 654213

IUPACN-(2,4-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccnc1
InChIInChI=1S/C12H8F2N2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)
InChIKeyNOCNRSXZPFJMMC-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.61
Rot. Bonds2

About N-(2,4-difluorophenyl)pyridine-3-carboxamide

N-(2,4-difluorophenyl)pyridine-3-carboxamide (PubChem CID 654213) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)pyridine-3-carboxamide
PubChem CID654213
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC NameN-(2,4-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccnc1
InChIInChI=1S/C12H8F2N2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)
InChIKeyNOCNRSXZPFJMMC-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)pyridine-3-carboxamide (CID 654213) is N-(2,4-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1cccnc1.
What is the InChIKey of N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is NOCNRSXZPFJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17).
What are the key properties of N-(2,4-difluorophenyl)pyridine-3-carboxamide?
N-(2,4-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 234.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 654213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).