4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid

C14H13NO4 — CID 10445268

IUPAC4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid
SMILESCc1c(O)c(=O)ccn1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13NO4/c1-9-13(17)12(16)6-7-15(9)8-10-2-4-11(5-3-10)14(18)19/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyWPXGFDLBYJDAQD-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.61
Rot. Bonds3

About 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid

4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid (PubChem CID 10445268) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid
PubChem CID10445268
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid
SMILESCc1c(O)c(=O)ccn1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13NO4/c1-9-13(17)12(16)6-7-15(9)8-10-2-4-11(5-3-10)14(18)19/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyWPXGFDLBYJDAQD-UHFFFAOYSA-N
XLogP1.61
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid?
The IUPAC name of 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid (CID 10445268) is 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid.
What is the SMILES notation for 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid?
The canonical SMILES for 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid is Cc1c(O)c(=O)ccn1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid?
The InChIKey is WPXGFDLBYJDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-13(17)12(16)6-7-15(9)8-10-2-4-11(5-3-10)14(18)19/h2-7,17H,8H2,1H3,(H,18,19).
What are the key properties of 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid?
4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)methyl]benzoic acid is sourced from PubChem (CID 10445268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).