2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid

C12H14FNO4 — CID 54759482

IUPAC2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
SMILES[2H]c1c(C(=O)O)c(F)c(C2CCCCC2)n(O)c1=O
InChIInChI=1S/C12H14FNO4/c13-10-8(12(16)17)6-9(15)14(18)11(10)7-4-2-1-3-5-7/h6-7,18H,1-5H2,(H,16,17)/i6D
InChIKeyMFUAXEBVJSGNCK-RAMDWTOOSA-N
MW256.25 g/mol
LogP1.97
Rot. Bonds2

About 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid

2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid (PubChem CID 54759482) has the molecular formula C12H14FNO4 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
PubChem CID54759482
Molecular FormulaC12H14FNO4
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
SMILES[2H]c1c(C(=O)O)c(F)c(C2CCCCC2)n(O)c1=O
InChIInChI=1S/C12H14FNO4/c13-10-8(12(16)17)6-9(15)14(18)11(10)7-4-2-1-3-5-7/h6-7,18H,1-5H2,(H,16,17)/i6D
InChIKeyMFUAXEBVJSGNCK-RAMDWTOOSA-N
XLogP1.97
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.97
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-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759289
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
2-Cyclohexyl-6-hydroxypyridine-4-carboxylic acid
CID 82616689
6-Cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759288
6-Cyclohexyl-3-deuterio-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759290
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid (CID 54759482) is 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid is [2H]c1c(C(=O)O)c(F)c(C2CCCCC2)n(O)c1=O.
What is the InChIKey of 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid?
The InChIKey is MFUAXEBVJSGNCK-RAMDWTOOSA-N. The full InChI is InChI=1S/C12H14FNO4/c13-10-8(12(16)17)6-9(15)14(18)11(10)7-4-2-1-3-5-7/h6-7,18H,1-5H2,(H,16,17)/i6D.
What are the key properties of 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid?
2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid has a molecular weight of 256.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 54759482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).