5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C13H8Cl3NO3 — CID 169258438

IUPAC5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H8Cl3NO3/c1-5-11(16)9(10(13(19)20)12(18)17-5)6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H,17,18)(H,19,20)
InChIKeyLWSNEVSMSYRPSO-UHFFFAOYSA-N
MW332.57 g/mol
LogP4.01
Rot. Bonds2

About 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid

5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 169258438) has the molecular formula C13H8Cl3NO3 and a molecular weight of 332.57 g/mol. Its IUPAC name is 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID169258438
Molecular FormulaC13H8Cl3NO3
Molecular Weight332.57 g/mol
Exact Mass330.96
IUPAC Name5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H8Cl3NO3/c1-5-11(16)9(10(13(19)20)12(18)17-5)6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H,17,18)(H,19,20)
InChIKeyLWSNEVSMSYRPSO-UHFFFAOYSA-N
XLogP4.01
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405280
2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407864
2-amino-4-[3-chloro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405339
2-amino-4-(3-chloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407296
2-(3,4-dichlorophenyl)-4-oxo-1H-pyridine-3-carboxylic acid
CID 70401108
2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075313
2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid
CID 82045546
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
5-(3-chloro-4-methoxyphenyl)-2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163387931
3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092861
ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate
CID 169258499
2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075314

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 169258438) is 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1[nH]c(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is LWSNEVSMSYRPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO3/c1-5-11(16)9(10(13(19)20)12(18)17-5)6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 332.57 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 169258438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).