7-bromo-5-phenylpyrido[4,3-b]indole

C17H11BrN2 — CID 129221574

IUPAC7-bromo-5-phenylpyrido[4,3-b]indole
SMILESBrc1ccc2c3cnccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C17H11BrN2/c18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-11H
InChIKeyBHOYHRSPDWWSAL-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.94
Rot. Bonds1

About 7-bromo-5-phenylpyrido[4,3-b]indole

7-bromo-5-phenylpyrido[4,3-b]indole (PubChem CID 129221574) has the molecular formula C17H11BrN2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 7-bromo-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name7-bromo-5-phenylpyrido[4,3-b]indole
PubChem CID129221574
Molecular FormulaC17H11BrN2
Molecular Weight323.19 g/mol
Exact Mass322.01
IUPAC Name7-bromo-5-phenylpyrido[4,3-b]indole
SMILESBrc1ccc2c3cnccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C17H11BrN2/c18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-11H
InChIKeyBHOYHRSPDWWSAL-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-5-phenylpyrido[4,3-b]indole 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 7-bromo-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 7-bromo-5-phenylpyrido[4,3-b]indole (CID 129221574) is 7-bromo-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 7-bromo-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 7-bromo-5-phenylpyrido[4,3-b]indole is Brc1ccc2c3cnccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 7-bromo-5-phenylpyrido[4,3-b]indole?
The InChIKey is BHOYHRSPDWWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2/c18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 7-bromo-5-phenylpyrido[4,3-b]indole?
7-bromo-5-phenylpyrido[4,3-b]indole has a molecular weight of 323.19 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 129221574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).