5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid

C12H8ClNO3 — CID 53223006

IUPAC5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H8ClNO3/c13-9-3-1-2-7(4-9)10-5-8(12(16)17)6-14-11(10)15/h1-6H,(H,14,15)(H,16,17)
InChIKeyAGBYSGIIXDACIG-UHFFFAOYSA-N
MW249.65 g/mol
LogP2.39
Rot. Bonds2

About 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid

5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53223006) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53223006
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H8ClNO3/c13-9-3-1-2-7(4-9)10-5-8(12(16)17)6-14-11(10)15/h1-6H,(H,14,15)(H,16,17)
InChIKeyAGBYSGIIXDACIG-UHFFFAOYSA-N
XLogP2.39
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 53223006) is 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is AGBYSGIIXDACIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-9-3-1-2-7(4-9)10-5-8(12(16)17)6-14-11(10)15/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 249.65 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53223006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).