2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine

C15H20N2O — CID 176888040

IUPAC2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine
SMILESOn1cccc2cc(CCC3CCCCC3)nc1-2
InChIInChI=1S/C15H20N2O/c18-17-10-4-7-13-11-14(16-15(13)17)9-8-12-5-2-1-3-6-12/h4,7,10-12,18H,1-3,5-6,8-9H2
InChIKeyOPNQUTSAGAHQLM-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.74
Rot. Bonds3

About 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine

2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine (PubChem CID 176888040) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine
PubChem CID176888040
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine
SMILESOn1cccc2cc(CCC3CCCCC3)nc1-2
InChIInChI=1S/C15H20N2O/c18-17-10-4-7-13-11-14(16-15(13)17)9-8-12-5-2-1-3-6-12/h4,7,10-12,18H,1-3,5-6,8-9H2
InChIKeyOPNQUTSAGAHQLM-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine (CID 176888040) is 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine is On1cccc2cc(CCC3CCCCC3)nc1-2.
What is the InChIKey of 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine?
The InChIKey is OPNQUTSAGAHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-17-10-4-7-13-11-14(16-15(13)17)9-8-12-5-2-1-3-6-12/h4,7,10-12,18H,1-3,5-6,8-9H2.
What are the key properties of 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine?
2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine has a molecular weight of 244.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-7-hydroxypyrrolo[2,3-b]pyridine is sourced from PubChem (CID 176888040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).