4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

C12H9F2NO3 — CID 68604646

IUPAC4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESO=C1CC(c2ccc(F)c(F)c2)C(C(=O)O)=CN1
InChIInChI=1S/C12H9F2NO3/c13-9-2-1-6(3-10(9)14)7-4-11(16)15-5-8(7)12(17)18/h1-3,5,7H,4H2,(H,15,16)(H,17,18)
InChIKeyUAYPQZMPGYGPEG-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.54
Rot. Bonds2

About 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (PubChem CID 68604646) has the molecular formula C12H9F2NO3 and a molecular weight of 253.20 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
PubChem CID68604646
Molecular FormulaC12H9F2NO3
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESO=C1CC(c2ccc(F)c(F)c2)C(C(=O)O)=CN1
InChIInChI=1S/C12H9F2NO3/c13-9-2-1-6(3-10(9)14)7-4-11(16)15-5-8(7)12(17)18/h1-3,5,7H,4H2,(H,15,16)(H,17,18)
InChIKeyUAYPQZMPGYGPEG-UHFFFAOYSA-N
XLogP1.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (CID 68604646) is 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is O=C1CC(c2ccc(F)c(F)c2)C(C(=O)O)=CN1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The InChIKey is UAYPQZMPGYGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3/c13-9-2-1-6(3-10(9)14)7-4-11(16)15-5-8(7)12(17)18/h1-3,5,7H,4H2,(H,15,16)(H,17,18).
What are the key properties of 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid has a molecular weight of 253.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is sourced from PubChem (CID 68604646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).