6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde

C13H17NO3 — CID 139553633

IUPAC6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1C=O
InChIInChI=1S/C13H17NO3/c1-9-7-12(10-5-3-2-4-6-10)14(17)13(16)11(9)8-15/h7-8,10,17H,2-6H2,1H3
InChIKeyUDHKRSHQAZUQKQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.25
Rot. Bonds2

About 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde

6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde (PubChem CID 139553633) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde
PubChem CID139553633
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1C=O
InChIInChI=1S/C13H17NO3/c1-9-7-12(10-5-3-2-4-6-10)14(17)13(16)11(9)8-15/h7-8,10,17H,2-6H2,1H3
InChIKeyUDHKRSHQAZUQKQ-UHFFFAOYSA-N
XLogP2.25
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde (CID 139553633) is 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde is Cc1cc(C2CCCCC2)n(O)c(=O)c1C=O.
What is the InChIKey of 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde?
The InChIKey is UDHKRSHQAZUQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-7-12(10-5-3-2-4-6-10)14(17)13(16)11(9)8-15/h7-8,10,17H,2-6H2,1H3.
What are the key properties of 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde?
6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde has a molecular weight of 235.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 139553633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).