3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid

C15H11N3O6 — CID 138455153

IUPAC3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(-c2noc(=O)[nH]2)ccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C15H11N3O6/c1-6-4-7(13-17-15(23)24-18-13)2-3-8(6)9-5-10(19)12(20)11(16-9)14(21)22/h2-5,20H,1H3,(H,16,19)(H,21,22)(H,17,18,23)
InChIKeyLUIZNWALJWPSKU-UHFFFAOYSA-N
MW329.27 g/mol
LogP1.10
Rot. Bonds3

About 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid

3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 138455153) has the molecular formula C15H11N3O6 and a molecular weight of 329.27 g/mol. Its IUPAC name is 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID138455153
Molecular FormulaC15H11N3O6
Molecular Weight329.27 g/mol
Exact Mass329.06
IUPAC Name3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(-c2noc(=O)[nH]2)ccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C15H11N3O6/c1-6-4-7(13-17-15(23)24-18-13)2-3-8(6)9-5-10(19)12(20)11(16-9)14(21)22/h2-5,20H,1H3,(H,16,19)(H,21,22)(H,17,18,23)
InChIKeyLUIZNWALJWPSKU-UHFFFAOYSA-N
XLogP1.10
TPSA149.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid (CID 138455153) is 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid is Cc1cc(-c2noc(=O)[nH]2)ccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1.
What is the InChIKey of 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is LUIZNWALJWPSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O6/c1-6-4-7(13-17-15(23)24-18-13)2-3-8(6)9-5-10(19)12(20)11(16-9)14(21)22/h2-5,20H,1H3,(H,16,19)(H,21,22)(H,17,18,23).
What are the key properties of 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid?
3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 329.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 138455153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).