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

C13H9Cl2NO3 — CID 169258451

IUPAC4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H9Cl2NO3/c1-6-4-8(11(13(18)19)12(17)16-6)7-2-3-9(14)10(15)5-7/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyBCLOVLOLOGLCKB-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.36
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 169258451) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID169258451
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H9Cl2NO3/c1-6-4-8(11(13(18)19)12(17)16-6)7-2-3-9(14)10(15)5-7/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyBCLOVLOLOGLCKB-UHFFFAOYSA-N
XLogP3.36
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.36
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)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 169258451) is 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is BCLOVLOLOGLCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-6-4-8(11(13(18)19)12(17)16-6)7-2-3-9(14)10(15)5-7/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 298.13 g/mol, XLogP of 3.36, 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)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 169258451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).