5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

C13H9Cl2NO3 — CID 2764356

IUPAC5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C13H9Cl2NO3/c14-10-3-1-2-8(4-10)6-16-7-9(13(18)19)5-11(15)12(16)17/h1-5,7H,6H2,(H,18,19)
InChIKeyRZLVKMJJANTOPJ-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.90
Rot. Bonds3

About 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 2764356) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID2764356
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C13H9Cl2NO3/c14-10-3-1-2-8(4-10)6-16-7-9(13(18)19)5-11(15)12(16)17/h1-5,7H,6H2,(H,18,19)
InChIKeyRZLVKMJJANTOPJ-UHFFFAOYSA-N
XLogP2.90
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide
CID 1485997
5-chloro-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1486006
4-[[4-[(3-chlorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzoic acid
CID 53214174
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 3766196
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 1485992
5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1482997
1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 2764352
3-[(6-chloro-1-oxoisoquinolin-2-yl)methyl]benzoic acid
CID 93225210
3-chloro-4-[(3-chlorophenyl)methylamino]benzoic acid
CID 63087800
4-[(3-chlorophenyl)methyl]-1,2,4-triazole-3-carboxylic acid
CID 83897709
8-chloro-3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393470
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 2764356) is 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1.
What is the InChIKey of 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is RZLVKMJJANTOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-10-3-1-2-8(4-10)6-16-7-9(13(18)19)5-11(15)12(16)17/h1-5,7H,6H2,(H,18,19).
What are the key properties of 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 298.12 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 2764356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).