5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol

C20H13NO — CID 624798

IUPAC5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol
SMILESOC1(C#Cc2ccccc2)c2ccccc2-c2ncccc21
InChIInChI=1S/C20H13NO/c22-20(13-12-15-7-2-1-3-8-15)17-10-5-4-9-16(17)19-18(20)11-6-14-21-19/h1-11,14,22H
InChIKeyWYCCHIOXHACMCQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.35
Rot. Bonds

About 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol

5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol (PubChem CID 624798) has the molecular formula C20H13NO and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol.

Molecular Properties

Compound Name5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol
PubChem CID624798
Molecular FormulaC20H13NO
Molecular Weight283.33 g/mol
Exact Mass283.10
IUPAC Name5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol
SMILESOC1(C#Cc2ccccc2)c2ccccc2-c2ncccc21
InChIInChI=1S/C20H13NO/c22-20(13-12-15-7-2-1-3-8-15)17-10-5-4-9-16(17)19-18(20)11-6-14-21-19/h1-11,14,22H
InChIKeyWYCCHIOXHACMCQ-UHFFFAOYSA-N
XLogP3.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol 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 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol?
The IUPAC name of 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol (CID 624798) is 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol.
What is the SMILES notation for 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol?
The canonical SMILES for 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol is OC1(C#Cc2ccccc2)c2ccccc2-c2ncccc21.
What is the InChIKey of 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol?
The InChIKey is WYCCHIOXHACMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO/c22-20(13-12-15-7-2-1-3-8-15)17-10-5-4-9-16(17)19-18(20)11-6-14-21-19/h1-11,14,22H.
What are the key properties of 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol?
5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol has a molecular weight of 283.33 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-ol is sourced from PubChem (CID 624798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).