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

C15H13Cl2NO3 — CID 169258445

IUPAC4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(C)[nH]c(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c1-3-9-7(2)18-14(19)13(15(20)21)12(9)8-4-5-10(16)11(17)6-8/h4-6H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRXVDJWHIWMJIAG-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.92
Rot. Bonds3

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

4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 169258445) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID169258445
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(C)[nH]c(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c1-3-9-7(2)18-14(19)13(15(20)21)12(9)8-4-5-10(16)11(17)6-8/h4-6H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRXVDJWHIWMJIAG-UHFFFAOYSA-N
XLogP3.92
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.92
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-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 169258445) is 4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(C)[nH]c(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is RXVDJWHIWMJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-3-9-7(2)18-14(19)13(15(20)21)12(9)8-4-5-10(16)11(17)6-8/h4-6H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 326.18 g/mol, XLogP of 3.92, 3 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-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 169258445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).