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

C13H9Cl2NO4 — CID 127051883

IUPAC1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(Cl)c(Cl)c2)cc(O)c1=O
InChIInChI=1S/C13H9Cl2NO4/c14-9-2-1-7(3-10(9)15)4-16-5-8(13(19)20)12(18)11(17)6-16/h1-3,5-6,17H,4H2,(H,19,20)
InChIKeyVSLLDGVLRHLWCY-UHFFFAOYSA-N
MW314.12 g/mol
LogP2.61
Rot. Bonds3

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

1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 127051883) has the molecular formula C13H9Cl2NO4 and a molecular weight of 314.12 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID127051883
Molecular FormulaC13H9Cl2NO4
Molecular Weight314.12 g/mol
Exact Mass312.99
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(Cl)c(Cl)c2)cc(O)c1=O
InChIInChI=1S/C13H9Cl2NO4/c14-9-2-1-7(3-10(9)15)4-16-5-8(13(19)20)12(18)11(17)6-16/h1-3,5-6,17H,4H2,(H,19,20)
InChIKeyVSLLDGVLRHLWCY-UHFFFAOYSA-N
XLogP2.61
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 127051883) is 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(Cl)c(Cl)c2)cc(O)c1=O.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is VSLLDGVLRHLWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4/c14-9-2-1-7(3-10(9)15)4-16-5-8(13(19)20)12(18)11(17)6-16/h1-3,5-6,17H,4H2,(H,19,20).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 314.12 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 127051883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).