5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid

C13H10ClNO3 — CID 13157207

IUPAC5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-n2cc(Cl)cc(C(=O)O)c2=O)cc1
InChIInChI=1S/C13H10ClNO3/c1-8-2-4-10(5-3-8)15-7-9(14)6-11(12(15)16)13(17)18/h2-7H,1H3,(H,17,18)
InChIKeyCYLVJWLNJZLSPC-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.50
Rot. Bonds2

About 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid

5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 13157207) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
PubChem CID13157207
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-n2cc(Cl)cc(C(=O)O)c2=O)cc1
InChIInChI=1S/C13H10ClNO3/c1-8-2-4-10(5-3-8)15-7-9(14)6-11(12(15)16)13(17)18/h2-7H,1H3,(H,17,18)
InChIKeyCYLVJWLNJZLSPC-UHFFFAOYSA-N
XLogP2.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 105487344
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
4-chloro-1-(3,4-dimethylphenyl)pyrrole-2-carboxylic acid
CID 114603225
1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 2764352
5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid
CID 53306638
4-bromo-1-(4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603624
2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
CID 53226704
3,5-dibromo-1-(4-methylphenyl)pyridin-2-one
CID 132581866
7-chloro-3-(4-methylphenyl)quinazolin-4-one
CID 11334739
1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid
CID 107638921
2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058328
4-chloro-1-(2-fluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid (CID 13157207) is 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid is Cc1ccc(-n2cc(Cl)cc(C(=O)O)c2=O)cc1.
What is the InChIKey of 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is CYLVJWLNJZLSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-8-2-4-10(5-3-8)15-7-9(14)6-11(12(15)16)13(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 13157207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).