6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid

C12H15NO4 — CID 54759476

IUPAC6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid
SMILES[2H]c1c(C(=O)O)cc(C2CCCCC2)n(O)c1=O
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)/i7D
InChIKeyBJSPXVZYYUHXQD-WHRKIXHSSA-N
MW238.26 g/mol
LogP1.83
Rot. Bonds2

About 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid

6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid (PubChem CID 54759476) has the molecular formula C12H15NO4 and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid
PubChem CID54759476
Molecular FormulaC12H15NO4
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid
SMILES[2H]c1c(C(=O)O)cc(C2CCCCC2)n(O)c1=O
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)/i7D
InChIKeyBJSPXVZYYUHXQD-WHRKIXHSSA-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 ≤ 500238.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
2-Cyclohexyl-3-deuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759477

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid (CID 54759476) is 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid is [2H]c1c(C(=O)O)cc(C2CCCCC2)n(O)c1=O.
What is the InChIKey of 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid?
The InChIKey is BJSPXVZYYUHXQD-WHRKIXHSSA-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)/i7D.
What are the key properties of 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid?
6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid has a molecular weight of 238.26 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 6-cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 54759476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).