5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid

C19H14ClNO3 — CID 14075364

IUPAC5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)c(-c2ccc(Cl)cc2)cn1-c1ccccc1
InChIInChI=1S/C19H14ClNO3/c1-12-17(19(23)24)18(22)16(13-7-9-14(20)10-8-13)11-21(12)15-5-3-2-4-6-15/h2-11H,1H3,(H,23,24)
InChIKeyWYWCIHAXCFZWTO-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.16
Rot. Bonds3

About 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid

5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid (PubChem CID 14075364) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid
PubChem CID14075364
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)c(-c2ccc(Cl)cc2)cn1-c1ccccc1
InChIInChI=1S/C19H14ClNO3/c1-12-17(19(23)24)18(22)16(13-7-9-14(20)10-8-13)11-21(12)15-5-3-2-4-6-15/h2-11H,1H3,(H,23,24)
InChIKeyWYWCIHAXCFZWTO-UHFFFAOYSA-N
XLogP4.16
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid (CID 14075364) is 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid is Cc1c(C(=O)O)c(=O)c(-c2ccc(Cl)cc2)cn1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid?
The InChIKey is WYWCIHAXCFZWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-12-17(19(23)24)18(22)16(13-7-9-14(20)10-8-13)11-21(12)15-5-3-2-4-6-15/h2-11H,1H3,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid?
5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid has a molecular weight of 339.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-4-oxo-1-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 14075364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).