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

C8H4BrCl2N — CID 169197373

IUPAC4-bromo-6,7-dichloro-1H-indole
SMILESClc1cc(Br)c2cc[nH]c2c1Cl
InChIInChI=1S/C8H4BrCl2N/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3,12H
InChIKeyPZUZDTFBEHYJPV-UHFFFAOYSA-N
MW264.94 g/mol
LogP4.24
Rot. Bonds

About 4-bromo-6,7-dichloro-1H-indole

4-bromo-6,7-dichloro-1H-indole (PubChem CID 169197373) has the molecular formula C8H4BrCl2N and a molecular weight of 264.94 g/mol. Its IUPAC name is 4-bromo-6,7-dichloro-1H-indole.

Molecular Properties

Compound Name4-bromo-6,7-dichloro-1H-indole
PubChem CID169197373
Molecular FormulaC8H4BrCl2N
Molecular Weight264.94 g/mol
Exact Mass262.89
IUPAC Name4-bromo-6,7-dichloro-1H-indole
SMILESClc1cc(Br)c2cc[nH]c2c1Cl
InChIInChI=1S/C8H4BrCl2N/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3,12H
InChIKeyPZUZDTFBEHYJPV-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_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-chloro-1H-indole
CID 12269921
6,7-dichloro-1H-indole
CID 12272802
5-Bromo-6-chloro-1H-indole
CID 14419619
5,6-Dichloro-1H-indole
CID 10487776
7-bromo-4-chloro-1H-indole
CID 18752873
5-bromo-7-chloro-1H-indole
CID 10728194
7-bromo-5-chloro-1H-indole
CID 24729504
6-bromo-7-chloro-1H-indole
CID 90113384
7-bromo-6-chloro-1H-indole
CID 117776829
3-bromo-4,6-dichloro-1H-indole
CID 103427958
3-Bromo-6-chloro-1H-indole
CID 43163570
4-bromo-3-chloro-7-fluoro-1H-indole
CID 130052108

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,7-dichloro-1H-indole?
The IUPAC name of 4-bromo-6,7-dichloro-1H-indole (CID 169197373) is 4-bromo-6,7-dichloro-1H-indole.
What is the SMILES notation for 4-bromo-6,7-dichloro-1H-indole?
The canonical SMILES for 4-bromo-6,7-dichloro-1H-indole is Clc1cc(Br)c2cc[nH]c2c1Cl.
What is the InChIKey of 4-bromo-6,7-dichloro-1H-indole?
The InChIKey is PZUZDTFBEHYJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2N/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3,12H.
What are the key properties of 4-bromo-6,7-dichloro-1H-indole?
4-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 4-bromo-6,7-dichloro-1H-indole is sourced from PubChem (CID 169197373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).