2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid

C14H11Cl2NO3 — CID 14075313

IUPAC2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)n1C
InChIInChI=1S/C14H11Cl2NO3/c1-7-5-11(18)12(14(19)20)13(17(7)2)8-3-4-9(15)10(16)6-8/h3-6H,1-2H3,(H,19,20)
InChIKeyWUGFPOMFHIIFGQ-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.37
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid

2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid (PubChem CID 14075313) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
PubChem CID14075313
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)n1C
InChIInChI=1S/C14H11Cl2NO3/c1-7-5-11(18)12(14(19)20)13(17(7)2)8-3-4-9(15)10(16)6-8/h3-6H,1-2H3,(H,19,20)
InChIKeyWUGFPOMFHIIFGQ-UHFFFAOYSA-N
XLogP3.37
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075314
6-[(3-chloropyrazol-1-yl)methyl]-2-(3,4-dichlorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
CID 168932948
2-(3-chlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid;2-(3-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 160753306
2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604862
2-(3,4-dichlorophenyl)-1-ethyl-6-[(6-methylpyridazin-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 170604688
2-(3,4-dichlorophenyl)-1-ethyl-6-[(5-methyl-3-oxo-1H-pyrazol-2-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 168932864
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
2-(3-chlorophenyl)-1-hexyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 22159948
2-(3,4-dichlorophenyl)-1-ethyl-6-[(2-fluoro-4-methylphenyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 170604790
6-[(5-chloro-6-fluoro-2-pyridinyl)methyl]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604828
2-(3,4-dichlorophenyl)-6-[(3,5-dichloropyrazol-1-yl)methyl]-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 168932750
6-[(6-chloro-3-pyridinyl)methyl]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604819

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid (CID 14075313) is 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)n1C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is WUGFPOMFHIIFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-7-5-11(18)12(14(19)20)13(17(7)2)8-3-4-9(15)10(16)6-8/h3-6H,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 312.15 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14075313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).