5-bromo-6,7-dichloro-1H-indole

C8H4BrCl2N — CID 172639291

IUPAC5-bromo-6,7-dichloro-1H-indole
SMILESClc1c(Br)cc2cc[nH]c2c1Cl
InChIInChI=1S/C8H4BrCl2N/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3,12H
InChIKeyHHFWMXAOWBWMAV-UHFFFAOYSA-N
MW264.94 g/mol
LogP4.24
Rot. Bonds

About 5-bromo-6,7-dichloro-1H-indole

5-bromo-6,7-dichloro-1H-indole (PubChem CID 172639291) has the molecular formula C8H4BrCl2N and a molecular weight of 264.94 g/mol. Its IUPAC name is 5-bromo-6,7-dichloro-1H-indole.

Molecular Properties

Compound Name5-bromo-6,7-dichloro-1H-indole
PubChem CID172639291
Molecular FormulaC8H4BrCl2N
Molecular Weight264.94 g/mol
Exact Mass262.89
IUPAC Name5-bromo-6,7-dichloro-1H-indole
SMILESClc1c(Br)cc2cc[nH]c2c1Cl
InChIInChI=1S/C8H4BrCl2N/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3,12H
InChIKeyHHFWMXAOWBWMAV-UHFFFAOYSA-N
XLogP4.24
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.94
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,7-dichloro-1H-indole?
The IUPAC name of 5-bromo-6,7-dichloro-1H-indole (CID 172639291) is 5-bromo-6,7-dichloro-1H-indole.
What is the SMILES notation for 5-bromo-6,7-dichloro-1H-indole?
The canonical SMILES for 5-bromo-6,7-dichloro-1H-indole is Clc1c(Br)cc2cc[nH]c2c1Cl.
What is the InChIKey of 5-bromo-6,7-dichloro-1H-indole?
The InChIKey is HHFWMXAOWBWMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2N/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3,12H.
What are the key properties of 5-bromo-6,7-dichloro-1H-indole?
5-bromo-6,7-dichloro-1H-indole has a molecular weight of 264.94 g/mol, XLogP of 4.24, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,7-dichloro-1H-indole is sourced from PubChem (CID 172639291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).