2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid

C12H15NO4 — CID 54759478

IUPAC2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid
SMILES[2H]c1c(C(=O)O)c([2H])c(=O)n(O)c1C1CCCCC1
InChIInChI=1S/C12H15NO4/c14-11-7-9(12(15)16)6-10(13(11)17)8-4-2-1-3-5-8/h6-8,17H,1-5H2,(H,15,16)/i6D,7D
InChIKeyBJSPXVZYYUHXQD-QFIQSOQBSA-N
MW239.27 g/mol
LogP1.83
Rot. Bonds2

About 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid

2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid (PubChem CID 54759478) has the molecular formula C12H15NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid
PubChem CID54759478
Molecular FormulaC12H15NO4
Molecular Weight239.27 g/mol
Exact Mass239.11
IUPAC Name2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid
SMILES[2H]c1c(C(=O)O)c([2H])c(=O)n(O)c1C1CCCCC1
InChIInChI=1S/C12H15NO4/c14-11-7-9(12(15)16)6-10(13(11)17)8-4-2-1-3-5-8/h6-8,17H,1-5H2,(H,15,16)/i6D,7D
InChIKeyBJSPXVZYYUHXQD-QFIQSOQBSA-N
XLogP1.83
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Cyclohexyl-3-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759287
6-Cyclohexyl-3-fluoro-1-hydroxy-2-oxopyridine-4-carboxylic acid
CID 54759479
2-Cyclohexyl-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759481
2-Cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759483
6-Cyclohexyl-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759283
2-Cyclohexyl-6-hydroxypyridine-4-carboxylic acid
CID 82616689
6-Cyclohexyl-3-deuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759284
6-Cyclohexyl-5-deuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759285
6-Cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759286
6-Cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759288
2-Cyclohexyl-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759292
6-Cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid
CID 54759476

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid (CID 54759478) is 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid is [2H]c1c(C(=O)O)c([2H])c(=O)n(O)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The InChIKey is BJSPXVZYYUHXQD-QFIQSOQBSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11-7-9(12(15)16)6-10(13(11)17)8-4-2-1-3-5-8/h6-8,17H,1-5H2,(H,15,16)/i6D,7D.
What are the key properties of 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid?
2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 54759478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).