5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide

C12H8ClFN2O2 — CID 47293680

IUPAC5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H8ClFN2O2/c13-10-5-7(6-15-12(10)18)11(17)16-9-3-1-8(14)2-4-9/h1-6H,(H,15,18)(H,16,17)
InChIKeyUDEPTCPFQXBOGX-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.42
Rot. Bonds2

About 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47293680) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47293680
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H8ClFN2O2/c13-10-5-7(6-15-12(10)18)11(17)16-9-3-1-8(14)2-4-9/h1-6H,(H,15,18)(H,16,17)
InChIKeyUDEPTCPFQXBOGX-UHFFFAOYSA-N
XLogP2.42
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 47293680) is 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UDEPTCPFQXBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-10-5-7(6-15-12(10)18)11(17)16-9-3-1-8(14)2-4-9/h1-6H,(H,15,18)(H,16,17).
What are the key properties of 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 266.66 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47293680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).