2,2-dichloroindole

C8H5Cl2N — CID 150158575

IUPAC2,2-dichloroindole
SMILESClC1(Cl)C=c2ccccc2=N1
InChIInChI=1S/C8H5Cl2N/c9-8(10)5-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyFGTPQGXNZZZONI-UHFFFAOYSA-N
MW186.04 g/mol
LogP1.23
Rot. Bonds

About 2,2-dichloroindole

2,2-dichloroindole (PubChem CID 150158575) has the molecular formula C8H5Cl2N and a molecular weight of 186.04 g/mol. Its IUPAC name is 2,2-dichloroindole.

Molecular Properties

Compound Name2,2-dichloroindole
PubChem CID150158575
Molecular FormulaC8H5Cl2N
Molecular Weight186.04 g/mol
Exact Mass184.98
IUPAC Name2,2-dichloroindole
SMILESClC1(Cl)C=c2ccccc2=N1
InChIInChI=1S/C8H5Cl2N/c9-8(10)5-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyFGTPQGXNZZZONI-UHFFFAOYSA-N
XLogP1.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 51.23
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 2,2-dichloroindole?
The IUPAC name of 2,2-dichloroindole (CID 150158575) is 2,2-dichloroindole.
What is the SMILES notation for 2,2-dichloroindole?
The canonical SMILES for 2,2-dichloroindole is ClC1(Cl)C=c2ccccc2=N1.
What is the InChIKey of 2,2-dichloroindole?
The InChIKey is FGTPQGXNZZZONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N/c9-8(10)5-6-3-1-2-4-7(6)11-8/h1-5H.
What are the key properties of 2,2-dichloroindole?
2,2-dichloroindole has a molecular weight of 186.04 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroindole is sourced from PubChem (CID 150158575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).