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

C14H11Cl2NO3 — CID 169258442

IUPAC4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H11Cl2NO3/c1-6-7(2)17-13(18)12(14(19)20)11(6)8-3-4-9(15)10(16)5-8/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyZLPLXVUKPXCXED-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.66
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 169258442) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID169258442
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H11Cl2NO3/c1-6-7(2)17-13(18)12(14(19)20)11(6)8-3-4-9(15)10(16)5-8/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyZLPLXVUKPXCXED-UHFFFAOYSA-N
XLogP3.66
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 169258442) is 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1[nH]c(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZLPLXVUKPXCXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-6-7(2)17-13(18)12(14(19)20)11(6)8-3-4-9(15)10(16)5-8/h3-5H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 312.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 169258442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).