2-chloro-2H-indole

C8H6ClN — CID 158600536

IUPAC2-chloro-2H-indole
SMILESClC1C=c2ccccc2=N1
InChIInChI=1S/C8H6ClN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,8H
InChIKeyHVOPQECGNHWGHQ-UHFFFAOYSA-N
MW151.60 g/mol
LogP0.67
Rot. Bonds

About 2-chloro-2H-indole

2-chloro-2H-indole (PubChem CID 158600536) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 2-chloro-2H-indole.

Molecular Properties

Compound Name2-chloro-2H-indole
PubChem CID158600536
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name2-chloro-2H-indole
SMILESClC1C=c2ccccc2=N1
InChIInChI=1S/C8H6ClN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,8H
InChIKeyHVOPQECGNHWGHQ-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2H-indole?
The IUPAC name of 2-chloro-2H-indole (CID 158600536) is 2-chloro-2H-indole.
What is the SMILES notation for 2-chloro-2H-indole?
The canonical SMILES for 2-chloro-2H-indole is ClC1C=c2ccccc2=N1.
What is the InChIKey of 2-chloro-2H-indole?
The InChIKey is HVOPQECGNHWGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,8H.
What are the key properties of 2-chloro-2H-indole?
2-chloro-2H-indole has a molecular weight of 151.60 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2H-indole is sourced from PubChem (CID 158600536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).