6-chloro-2H-indole;hydrochloride

C8H7Cl2N — CID 155344529

IUPAC6-chloro-2H-indole;hydrochloride
SMILESCl.Clc1ccc2c(c1)=NCC=2
InChIInChI=1S/C8H6ClN.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-3,5H,4H2;1H
InChIKeyFSBFRZMEKASBBY-UHFFFAOYSA-N
MW188.06 g/mol
LogP1.18
Rot. Bonds

About 6-chloro-2H-indole;hydrochloride

6-chloro-2H-indole;hydrochloride (PubChem CID 155344529) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is 6-chloro-2H-indole;hydrochloride.

Molecular Properties

Compound Name6-chloro-2H-indole;hydrochloride
PubChem CID155344529
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name6-chloro-2H-indole;hydrochloride
SMILESCl.Clc1ccc2c(c1)=NCC=2
InChIInChI=1S/C8H6ClN.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-3,5H,4H2;1H
InChIKeyFSBFRZMEKASBBY-UHFFFAOYSA-N
XLogP1.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2H-indole;hydrochloride?
The IUPAC name of 6-chloro-2H-indole;hydrochloride (CID 155344529) is 6-chloro-2H-indole;hydrochloride.
What is the SMILES notation for 6-chloro-2H-indole;hydrochloride?
The canonical SMILES for 6-chloro-2H-indole;hydrochloride is Cl.Clc1ccc2c(c1)=NCC=2.
What is the InChIKey of 6-chloro-2H-indole;hydrochloride?
The InChIKey is FSBFRZMEKASBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-3,5H,4H2;1H.
What are the key properties of 6-chloro-2H-indole;hydrochloride?
6-chloro-2H-indole;hydrochloride has a molecular weight of 188.06 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2H-indole;hydrochloride is sourced from PubChem (CID 155344529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).