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

C11H7ClN2 — CID 11287153

IUPAC6-chloro-9H-pyrido[3,4-b]indole
SMILESClc1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C11H7ClN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H
InChIKeyYOYDGKNKZANQBG-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.37
Rot. Bonds

About 6-chloro-9H-pyrido[3,4-b]indole

6-chloro-9H-pyrido[3,4-b]indole (PubChem CID 11287153) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-chloro-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-9H-pyrido[3,4-b]indole
PubChem CID11287153
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name6-chloro-9H-pyrido[3,4-b]indole
SMILESClc1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C11H7ClN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H
InChIKeyYOYDGKNKZANQBG-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-9H-pyrido[3,4-b]indole (CID 11287153) is 6-chloro-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-9H-pyrido[3,4-b]indole is Clc1ccc2[nH]c3cnccc3c2c1.
What is the InChIKey of 6-chloro-9H-pyrido[3,4-b]indole?
The InChIKey is YOYDGKNKZANQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H.
What are the key properties of 6-chloro-9H-pyrido[3,4-b]indole?
6-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 6-chloro-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 11287153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).