4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid

C13H11NO4 — CID 130424057

IUPAC4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid
SMILESCc1cc(=O)c(O)cn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H11NO4/c1-8-6-11(15)12(16)7-14(8)10-4-2-9(3-5-10)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyJUNPTJLZTSNUAM-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.55
Rot. Bonds2

About 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid

4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid (PubChem CID 130424057) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid
PubChem CID130424057
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid
SMILESCc1cc(=O)c(O)cn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H11NO4/c1-8-6-11(15)12(16)7-14(8)10-4-2-9(3-5-10)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyJUNPTJLZTSNUAM-UHFFFAOYSA-N
XLogP1.55
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid?
The IUPAC name of 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid (CID 130424057) is 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid?
The canonical SMILES for 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid is Cc1cc(=O)c(O)cn1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid?
The InChIKey is JUNPTJLZTSNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-8-6-11(15)12(16)7-14(8)10-4-2-9(3-5-10)13(17)18/h2-7,16H,1H3,(H,17,18).
What are the key properties of 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid?
4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid has a molecular weight of 245.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid is sourced from PubChem (CID 130424057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).