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

C12H13F2NO4 — CID 54759483

IUPAC2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)c(C2CCCCC2)n(O)c(=O)c1F
InChIInChI=1S/C12H13F2NO4/c13-8-7(12(17)18)9(14)11(16)15(19)10(8)6-4-2-1-3-5-6/h6,19H,1-5H2,(H,17,18)
InChIKeyUQVYTKXSKWNIJJ-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.11
Rot. Bonds2

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

2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid (PubChem CID 54759483) has the molecular formula C12H13F2NO4 and a molecular weight of 273.23 g/mol. Its IUPAC name is 2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
PubChem CID54759483
Molecular FormulaC12H13F2NO4
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)c(C2CCCCC2)n(O)c(=O)c1F
InChIInChI=1S/C12H13F2NO4/c13-8-7(12(17)18)9(14)11(16)15(19)10(8)6-4-2-1-3-5-6/h6,19H,1-5H2,(H,17,18)
InChIKeyUQVYTKXSKWNIJJ-UHFFFAOYSA-N
XLogP2.11
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.11
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-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759291
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-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759292
6-Cyclohexyl-3-deuterio-1-hydroxy-2-oxopyridine-4-carboxylic acid
CID 54759476
2-Cyclohexyl-3-deuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759477
2-Cyclohexyl-3,5-dideuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759478
2-Cyclohexyl-3-deuterio-5-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759480
2-Cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759482
3,5-Dideuterio-2-(1-deuteriocyclohexyl)-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759856

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid (CID 54759483) is 2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid is O=C(O)c1c(F)c(C2CCCCC2)n(O)c(=O)c1F.
What is the InChIKey of 2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The InChIKey is UQVYTKXSKWNIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4/c13-8-7(12(17)18)9(14)11(16)15(19)10(8)6-4-2-1-3-5-6/h6,19H,1-5H2,(H,17,18).
What are the key properties of 2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid?
2-cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid has a molecular weight of 273.23 g/mol, XLogP of 2.11, 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-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 54759483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).