1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C13H10ClNO4 — CID 127049694

IUPAC1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(Cl)cc2)cc(O)c1=O
InChIInChI=1S/C13H10ClNO4/c14-9-3-1-8(2-4-9)5-15-6-10(13(18)19)12(17)11(16)7-15/h1-4,6-7,16H,5H2,(H,18,19)
InChIKeyAPBIQOYOKJLXSK-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.95
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 127049694) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID127049694
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(Cl)cc2)cc(O)c1=O
InChIInChI=1S/C13H10ClNO4/c14-9-3-1-8(2-4-9)5-15-6-10(13(18)19)12(17)11(16)7-15/h1-4,6-7,16H,5H2,(H,18,19)
InChIKeyAPBIQOYOKJLXSK-UHFFFAOYSA-N
XLogP1.95
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 127049694) is 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(Cl)cc2)cc(O)c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is APBIQOYOKJLXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c14-9-3-1-8(2-4-9)5-15-6-10(13(18)19)12(17)11(16)7-15/h1-4,6-7,16H,5H2,(H,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 127049694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).