1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid

C13H10ClNO3 — CID 2764352

IUPAC1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H10ClNO3/c14-10-6-11(13(17)18)12(16)15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18)
InChIKeyHPIOWOMSNUANFN-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.25
Rot. Bonds3

About 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid

1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid (PubChem CID 2764352) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
PubChem CID2764352
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H10ClNO3/c14-10-6-11(13(17)18)12(16)15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18)
InChIKeyHPIOWOMSNUANFN-UHFFFAOYSA-N
XLogP2.25
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 3766196
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 103038423
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 2764356
5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 165416856
1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 165416864
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
CID 70608832
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
4-chloro-1-[(3-fluorophenyl)methyl]pyrrole-2-carboxylic acid
CID 114603713

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid (CID 2764352) is 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid is O=C(O)c1cc(Cl)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid?
The InChIKey is HPIOWOMSNUANFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-6-11(13(17)18)12(16)15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18).
What are the key properties of 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid?
1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 2764352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).