5-chloro-2H-indole

C8H6ClN — CID 67833629

IUPAC5-chloro-2H-indole
SMILESClc1ccc2c(c1)=CCN=2
InChIInChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-3,5H,4H2
InChIKeyZEZMPXBCOCBTRZ-UHFFFAOYSA-N
MW151.60 g/mol
LogP0.75
Rot. Bonds

About 5-chloro-2H-indole

5-chloro-2H-indole (PubChem CID 67833629) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 5-chloro-2H-indole.

Molecular Properties

Compound Name5-chloro-2H-indole
PubChem CID67833629
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name5-chloro-2H-indole
SMILESClc1ccc2c(c1)=CCN=2
InChIInChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-3,5H,4H2
InChIKeyZEZMPXBCOCBTRZ-UHFFFAOYSA-N
XLogP0.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-carbazole
CID 9548747
2H-Indole
CID 19013146
5H-Indole
CID 20712154
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
5-fluoro-2H-indole
CID 69725021
2-fluoro-2H-indole
CID 69725022
2h-indole N-oxide
CID 21661291
2h-Cyclopenta[cd]indole
CID 135121977
Chloromethylene indole
CID 168356001
5-fluoro-3-methyl-2H-indole
CID 95046937
3-fluoro-2H-indole
CID 124504446

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2H-indole?
The IUPAC name of 5-chloro-2H-indole (CID 67833629) is 5-chloro-2H-indole.
What is the SMILES notation for 5-chloro-2H-indole?
The canonical SMILES for 5-chloro-2H-indole is Clc1ccc2c(c1)=CCN=2.
What is the InChIKey of 5-chloro-2H-indole?
The InChIKey is ZEZMPXBCOCBTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-3,5H,4H2.
What are the key properties of 5-chloro-2H-indole?
5-chloro-2H-indole has a molecular weight of 151.60 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2H-indole is sourced from PubChem (CID 67833629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).