5-chloro-7H-indole

C8H6ClN — CID 69343385

IUPAC5-chloro-7H-indole
SMILESClC1=CCC2=NC=CC2=C1
InChIInChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1,3-5H,2H2
InChIKeyYKPNXEOHSAUELI-UHFFFAOYSA-N
MW151.60 g/mol
LogP2.41
Rot. Bonds

About 5-chloro-7H-indole

5-chloro-7H-indole (PubChem CID 69343385) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 5-chloro-7H-indole.

Molecular Properties

Compound Name5-chloro-7H-indole
PubChem CID69343385
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name5-chloro-7H-indole
SMILESClC1=CCC2=NC=CC2=C1
InChIInChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1,3-5H,2H2
InChIKeyYKPNXEOHSAUELI-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolo[3,2-e]indole
CID 19433626
3aH-indole
CID 20627139
5H-Indole
CID 20712154
Pyrrolo[2,3-f]indole
CID 21252022
5-Bromo-5-chloroindole
CID 57022641
Pyrrolo[3,2-g]indole
CID 70280489
5-fluoro-7H-indole
CID 97295149
4-chloro-5-fluoro-7H-pyrrolo[2,3-c]pyridine
CID 138540190
7-Chloroquinolin-4-ylzinc iodide, 0.25 M in THF
CID 85735499
4h-Indenopyridine
CID 129788783
3-methyl-5H-indole
CID 20712166
7H-indole
CID 22406159

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7H-indole?
The IUPAC name of 5-chloro-7H-indole (CID 69343385) is 5-chloro-7H-indole.
What is the SMILES notation for 5-chloro-7H-indole?
The canonical SMILES for 5-chloro-7H-indole is ClC1=CCC2=NC=CC2=C1.
What is the InChIKey of 5-chloro-7H-indole?
The InChIKey is YKPNXEOHSAUELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1,3-5H,2H2.
What are the key properties of 5-chloro-7H-indole?
5-chloro-7H-indole has a molecular weight of 151.60 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7H-indole is sourced from PubChem (CID 69343385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).