5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

C13H15N3O4 — CID 139595302

IUPAC5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C(=O)O)cc2O)NC1=O
InChIInChI=1S/C13H15N3O4/c1-6(2)13(3)12(20)15-10(16-13)9-8(17)4-7(5-14-9)11(18)19/h4-6,17H,1-3H3,(H,18,19)(H,15,16,20)
InChIKeyHSZSMTXJHICIFJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.78
Rot. Bonds3

About 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 139595302) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID139595302
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C(=O)O)cc2O)NC1=O
InChIInChI=1S/C13H15N3O4/c1-6(2)13(3)12(20)15-10(16-13)9-8(17)4-7(5-14-9)11(18)19/h4-6,17H,1-3H3,(H,18,19)(H,15,16,20)
InChIKeyHSZSMTXJHICIFJ-UHFFFAOYSA-N
XLogP0.78
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 139595302) is 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is CC(C)C1(C)N=C(c2ncc(C(=O)O)cc2O)NC1=O.
What is the InChIKey of 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is HSZSMTXJHICIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-6(2)13(3)12(20)15-10(16-13)9-8(17)4-7(5-14-9)11(18)19/h4-6,17H,1-3H3,(H,18,19)(H,15,16,20).
What are the key properties of 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 139595302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).