5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

C12H9FN2O2 — CID 91103664

IUPAC5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H9FN2O2/c13-8-3-1-7(2-4-8)9-5-15-6-10(11(9)16)12(14)17/h1-6H,(H2,14,17)(H,15,16)
InChIKeyXDFXYDHBQJNSCZ-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.28
Rot. Bonds2

About 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 91103664) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID91103664
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H9FN2O2/c13-8-3-1-7(2-4-8)9-5-15-6-10(11(9)16)12(14)17/h1-6H,(H2,14,17)(H,15,16)
InChIKeyXDFXYDHBQJNSCZ-UHFFFAOYSA-N
XLogP1.28
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 91103664) is 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XDFXYDHBQJNSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-8-3-1-7(2-4-8)9-5-15-6-10(11(9)16)12(14)17/h1-6H,(H2,14,17)(H,15,16).
What are the key properties of 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 232.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91103664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).