7-chloro-9H-pyrido[3,4-b]indole

C11H7ClN2 — CID 22185281

IUPAC7-chloro-9H-pyrido[3,4-b]indole
SMILESClc1ccc2c(c1)[nH]c1cnccc12
InChIInChI=1S/C11H7ClN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-6,14H
InChIKeyMQEOFUKOSJJCPH-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.37
Rot. Bonds

About 7-chloro-9H-pyrido[3,4-b]indole

7-chloro-9H-pyrido[3,4-b]indole (PubChem CID 22185281) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 7-chloro-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-chloro-9H-pyrido[3,4-b]indole
PubChem CID22185281
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name7-chloro-9H-pyrido[3,4-b]indole
SMILESClc1ccc2c(c1)[nH]c1cnccc12
InChIInChI=1S/C11H7ClN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-6,14H
InChIKeyMQEOFUKOSJJCPH-UHFFFAOYSA-N
XLogP3.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-chloro-9H-pyrido[3,4-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-chloro-9H-pyrido[3,4-b]indole?
The IUPAC name of 7-chloro-9H-pyrido[3,4-b]indole (CID 22185281) is 7-chloro-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-chloro-9H-pyrido[3,4-b]indole?
The canonical SMILES for 7-chloro-9H-pyrido[3,4-b]indole is Clc1ccc2c(c1)[nH]c1cnccc12.
What is the InChIKey of 7-chloro-9H-pyrido[3,4-b]indole?
The InChIKey is MQEOFUKOSJJCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-6,14H.
What are the key properties of 7-chloro-9H-pyrido[3,4-b]indole?
7-chloro-9H-pyrido[3,4-b]indole has a molecular weight of 202.64 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 22185281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).