CAS 245-08-9 | 5H-Pyrido[3,2-b]indole | CAS Number 245-08-9

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245-08-9 | 5H-Pyrido[3,2-b]indole

CAS No: 245-08-9 Catalog No: AG002OCE MDL No:MFCD13178683

Product Description

Catalog Number:

AG002OCE

Chemical Name:

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

CAS Number:

245-08-9

Molecular Formula:

C11H8N2

Molecular Weight:

168.1946

MDL Number:

MFCD13178683

IUPAC Name:

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

InChI:

InChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-7,13H

InChI Key:

NSBVOLBUJPCPFH-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)[nH]c1c2nccc1

Properties

Complexity:

193

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.199g/mol

Monoisotopic Mass:

168.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Gamma-carboline derivatives with anti-bovine viral diarrhea virus (BVDV) activity.	Bioorganic & medicinal chemistry 20080401
New synthesis of benzo-delta-carbolines, cryptolepines, and their salts: in vitro cytotoxic, antiplasmodial, and antitrypanosomal activities of delta-carbolines, benzo-delta-carbolines, and cryptolepines.	Journal of medicinal chemistry 20010315