6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid

C13H9F2NO3 — CID 69020106

IUPAC6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cc2ccc(F)c(F)c2)[nH]c1=O
InChIInChI=1S/C13H9F2NO3/c14-10-4-1-7(6-11(10)15)5-8-2-3-9(13(18)19)12(17)16-8/h1-4,6H,5H2,(H,16,17)(H,18,19)
InChIKeyZFCPVUNLUPRHFJ-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.94
Rot. Bonds3

About 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 69020106) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID69020106
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cc2ccc(F)c(F)c2)[nH]c1=O
InChIInChI=1S/C13H9F2NO3/c14-10-4-1-7(6-11(10)15)5-8-2-3-9(13(18)19)12(17)16-8/h1-4,6H,5H2,(H,16,17)(H,18,19)
InChIKeyZFCPVUNLUPRHFJ-UHFFFAOYSA-N
XLogP1.94
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 69020106) is 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(Cc2ccc(F)c(F)c2)[nH]c1=O.
What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZFCPVUNLUPRHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-10-4-1-7(6-11(10)15)5-8-2-3-9(13(18)19)12(17)16-8/h1-4,6H,5H2,(H,16,17)(H,18,19).
What are the key properties of 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid?
6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 69020106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).