1H-pyrido[4,3-b]indole

C11H8N2 — CID 21499447

IUPAC1H-pyrido[4,3-b]indole
SMILESC1=NCC2=c3ccccc3=NC2=C1
InChIInChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-6H,7H2
InChIKeyWYZFLCYTROCEOJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.44
Rot. Bonds

About 1H-pyrido[4,3-b]indole

1H-pyrido[4,3-b]indole (PubChem CID 21499447) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1H-pyrido[4,3-b]indole
PubChem CID21499447
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name1H-pyrido[4,3-b]indole
SMILESC1=NCC2=c3ccccc3=NC2=C1
InChIInChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-6H,7H2
InChIKeyWYZFLCYTROCEOJ-UHFFFAOYSA-N
XLogP0.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1H-pyrido[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 1H-pyrido[4,3-b]indole?
The IUPAC name of 1H-pyrido[4,3-b]indole (CID 21499447) is 1H-pyrido[4,3-b]indole.
What is the SMILES notation for 1H-pyrido[4,3-b]indole?
The canonical SMILES for 1H-pyrido[4,3-b]indole is C1=NCC2=c3ccccc3=NC2=C1.
What is the InChIKey of 1H-pyrido[4,3-b]indole?
The InChIKey is WYZFLCYTROCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-6H,7H2.
What are the key properties of 1H-pyrido[4,3-b]indole?
1H-pyrido[4,3-b]indole has a molecular weight of 168.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[4,3-b]indole is sourced from PubChem (CID 21499447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).