6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C12H8ClNO3 — CID 4715294

IUPAC6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C12H8ClNO3/c13-8-3-1-7(2-4-8)10-6-5-9(12(16)17)11(15)14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyCBGGWZGPODAQIL-UHFFFAOYSA-N
MW249.65 g/mol
LogP2.39
Rot. Bonds2

About 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 4715294) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID4715294
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C12H8ClNO3/c13-8-3-1-7(2-4-8)10-6-5-9(12(16)17)11(15)14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyCBGGWZGPODAQIL-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 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 4715294) is 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is CBGGWZGPODAQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-8-3-1-7(2-4-8)10-6-5-9(12(16)17)11(15)14-10/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-(4-chlorophenyl)-2-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 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 4715294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).