5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C13H10ClNO3 — CID 53223518

IUPAC5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1Cl
InChIInChI=1S/C13H10ClNO3/c1-7-4-8(2-3-11(7)14)9-5-10(13(17)18)12(16)15-6-9/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyCQGYHYGWMKHRLI-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.70
Rot. Bonds2

About 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53223518) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53223518
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1Cl
InChIInChI=1S/C13H10ClNO3/c1-7-4-8(2-3-11(7)14)9-5-10(13(17)18)12(16)15-6-9/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyCQGYHYGWMKHRLI-UHFFFAOYSA-N
XLogP2.70
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Fluoro-5-methylphenyl)-2-hydroxynicotinic acid
CID 53222823
5-(4-Fluoro-3-methylphenyl)-2-hydroxynicotinic acid
CID 53222871
5-(3-Chloro-5-fluorophenyl)-2-hydroxynicotinic acid
CID 53223580
5-(3-Chloro-4-fluorophenyl)-2-hydroxynicotinic acid
CID 53223595
4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 82092366
4-(5-chloro-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 84203475
5-(4-Chlorophenyl)-2-hydroxynicotinic acid
CID 10014975
5-(2-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 13605533
5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 19918404
5-(2,4-Dichlorophenyl)-2-hydroxynicotinic acid
CID 20234100
2-Hydroxy-5-(4-methylphenyl)nicotinic acid
CID 20300117
5-(3-Chlorophenyl)-2-hydroxynicotinic acid
CID 20300119

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 53223518) is 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is CQGYHYGWMKHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-7-4-8(2-3-11(7)14)9-5-10(13(17)18)12(16)15-6-9/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53223518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).