6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one

C12H16INO2 — CID 139553636

IUPAC6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1I
InChIInChI=1S/C12H16INO2/c1-8-7-10(9-5-3-2-4-6-9)14(16)12(15)11(8)13/h7,9,16H,2-6H2,1H3
InChIKeyVKCOLTGQNBYFLP-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.05
Rot. Bonds1

About 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one

6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one (PubChem CID 139553636) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
PubChem CID139553636
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Name6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1I
InChIInChI=1S/C12H16INO2/c1-8-7-10(9-5-3-2-4-6-9)14(16)12(15)11(8)13/h7,9,16H,2-6H2,1H3
InChIKeyVKCOLTGQNBYFLP-UHFFFAOYSA-N
XLogP3.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ciclopirox
CID 2749
Piroctone
CID 50259
6-Cyclohexyl-1-hydroxypyridin-2-one
CID 25069320
6-Cycloheptyl-1-hydroxy-4-methylpyridin-2-one
CID 155523702
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
6-Cyclopentyl-1-hydroxy-4-methylpyridin-2-one
CID 13590962
1-Hydroxy-4-methyl-6-nonylpyridin-2-one
CID 13590948
6-Heptyl-1-hydroxy-4-methylpyridin-2-one
CID 20158105
3-Bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 139553634
5-Bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 139553750
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
3-Chloro-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 155538721

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one?
The IUPAC name of 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one (CID 139553636) is 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one?
The canonical SMILES for 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one is Cc1cc(C2CCCCC2)n(O)c(=O)c1I.
What is the InChIKey of 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one?
The InChIKey is VKCOLTGQNBYFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-8-7-10(9-5-3-2-4-6-9)14(16)12(15)11(8)13/h7,9,16H,2-6H2,1H3.
What are the key properties of 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one?
6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one has a molecular weight of 333.17 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one is sourced from PubChem (CID 139553636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).