1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide

C13H10F2N2O2 — CID 2764874

IUPAC1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H10F2N2O2/c14-10-3-1-8(5-11(10)15)6-17-7-9(13(16)19)2-4-12(17)18/h1-5,7H,6H2,(H2,16,19)
InChIKeyYLGHTWPQHBGBJX-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.27
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 2764874) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID2764874
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H10F2N2O2/c14-10-3-1-8(5-11(10)15)6-17-7-9(13(16)19)2-4-12(17)18/h1-5,7H,6H2,(H2,16,19)
InChIKeyYLGHTWPQHBGBJX-UHFFFAOYSA-N
XLogP1.27
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 2764874) is 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide is NC(=O)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is YLGHTWPQHBGBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-3-1-8(5-11(10)15)6-17-7-9(13(16)19)2-4-12(17)18/h1-5,7H,6H2,(H2,16,19).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 264.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 2764874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).