9H-pyrido[3,2-b]indole

C11H8N2 — CID 101143574

IUPAC9H-pyrido[3,2-b]indole
SMILESC1=CCC2=c3ncccc3=NC2=C1
InChIInChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-3,5-7H,4H2
InChIKeyOKTZHBKYGZTENH-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.71
Rot. Bonds

About 9H-pyrido[3,2-b]indole

9H-pyrido[3,2-b]indole (PubChem CID 101143574) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 9H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name9H-pyrido[3,2-b]indole
PubChem CID101143574
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name9H-pyrido[3,2-b]indole
SMILESC1=CCC2=c3ncccc3=NC2=C1
InChIInChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-3,5-7H,4H2
InChIKeyOKTZHBKYGZTENH-UHFFFAOYSA-N
XLogP0.71
TPSA25.25 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 ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[3,2-b]indole?
The IUPAC name of 9H-pyrido[3,2-b]indole (CID 101143574) is 9H-pyrido[3,2-b]indole.
What is the SMILES notation for 9H-pyrido[3,2-b]indole?
The canonical SMILES for 9H-pyrido[3,2-b]indole is C1=CCC2=c3ncccc3=NC2=C1.
What is the InChIKey of 9H-pyrido[3,2-b]indole?
The InChIKey is OKTZHBKYGZTENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-3,5-7H,4H2.
What are the key properties of 9H-pyrido[3,2-b]indole?
9H-pyrido[3,2-b]indole has a molecular weight of 168.20 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[3,2-b]indole is sourced from PubChem (CID 101143574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).