2-chloro-1H-indole

C8H6ClN — CID 640840

IUPAC2-chloro-1H-indole
SMILESClc1cc2ccccc2[nH]1
InChIInChI=1S/C8H6ClN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
InChIKeyHBZHNVUMFPGVHW-UHFFFAOYSA-N
MW151.60 g/mol
LogP2.82
Rot. Bonds

About 2-chloro-1H-indole

2-chloro-1H-indole (PubChem CID 640840) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 2-chloro-1H-indole.

Molecular Properties

Compound Name2-chloro-1H-indole
PubChem CID640840
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name2-chloro-1H-indole
SMILESClc1cc2ccccc2[nH]1
InChIInChI=1S/C8H6ClN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
InChIKeyHBZHNVUMFPGVHW-UHFFFAOYSA-N
XLogP2.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1H-indole?
The IUPAC name of 2-chloro-1H-indole (CID 640840) is 2-chloro-1H-indole.
What is the SMILES notation for 2-chloro-1H-indole?
The canonical SMILES for 2-chloro-1H-indole is Clc1cc2ccccc2[nH]1.
What is the InChIKey of 2-chloro-1H-indole?
The InChIKey is HBZHNVUMFPGVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H.
What are the key properties of 2-chloro-1H-indole?
2-chloro-1H-indole has a molecular weight of 151.60 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-indole is sourced from PubChem (CID 640840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).