5H-pyrido[3,2-b]indole

C11H8N2 — CID 6451402

IUPAC5H-pyrido[3,2-b]indole
SMILESc1ccc2c(c1)[nH]c1cccnc12
InChIInChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-7,13H
InChIKeyNSBVOLBUJPCPFH-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.72
Rot. Bonds

About 5H-pyrido[3,2-b]indole

5H-pyrido[3,2-b]indole (PubChem CID 6451402) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name5H-pyrido[3,2-b]indole
PubChem CID6451402
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name5H-pyrido[3,2-b]indole
SMILESc1ccc2c(c1)[nH]c1cccnc12
InChIInChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-7,13H
InChIKeyNSBVOLBUJPCPFH-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrido[3,2-b]indole?
The IUPAC name of 5H-pyrido[3,2-b]indole (CID 6451402) is 5H-pyrido[3,2-b]indole.
What is the SMILES notation for 5H-pyrido[3,2-b]indole?
The canonical SMILES for 5H-pyrido[3,2-b]indole is c1ccc2c(c1)[nH]c1cccnc12.
What is the InChIKey of 5H-pyrido[3,2-b]indole?
The InChIKey is NSBVOLBUJPCPFH-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/h1-7,13H.
What are the key properties of 5H-pyrido[3,2-b]indole?
5H-pyrido[3,2-b]indole has a molecular weight of 168.20 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrido[3,2-b]indole is sourced from PubChem (CID 6451402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).