4-bromo-6-chloro-7-fluoro-1H-indole

C8H4BrClFN — CID 139387819

IUPAC4-bromo-6-chloro-7-fluoro-1H-indole
SMILESFc1c(Cl)cc(Br)c2cc[nH]c12
InChIInChI=1S/C8H4BrClFN/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3,12H
InChIKeyYMUQYAHRODVNAZ-UHFFFAOYSA-N
MW248.48 g/mol
LogP3.72
Rot. Bonds

About 4-bromo-6-chloro-7-fluoro-1H-indole

4-bromo-6-chloro-7-fluoro-1H-indole (PubChem CID 139387819) has the molecular formula C8H4BrClFN and a molecular weight of 248.48 g/mol. Its IUPAC name is 4-bromo-6-chloro-7-fluoro-1H-indole.

Molecular Properties

Compound Name4-bromo-6-chloro-7-fluoro-1H-indole
PubChem CID139387819
Molecular FormulaC8H4BrClFN
Molecular Weight248.48 g/mol
Exact Mass246.92
IUPAC Name4-bromo-6-chloro-7-fluoro-1H-indole
SMILESFc1c(Cl)cc(Br)c2cc[nH]c12
InChIInChI=1S/C8H4BrClFN/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3,12H
InChIKeyYMUQYAHRODVNAZ-UHFFFAOYSA-N
XLogP3.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-bromo-6-chloro-7-fluoro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-7-fluoro-1H-indole?
The IUPAC name of 4-bromo-6-chloro-7-fluoro-1H-indole (CID 139387819) is 4-bromo-6-chloro-7-fluoro-1H-indole.
What is the SMILES notation for 4-bromo-6-chloro-7-fluoro-1H-indole?
The canonical SMILES for 4-bromo-6-chloro-7-fluoro-1H-indole is Fc1c(Cl)cc(Br)c2cc[nH]c12.
What is the InChIKey of 4-bromo-6-chloro-7-fluoro-1H-indole?
The InChIKey is YMUQYAHRODVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClFN/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-chloro-7-fluoro-1H-indole?
4-bromo-6-chloro-7-fluoro-1H-indole has a molecular weight of 248.48 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-7-fluoro-1H-indole is sourced from PubChem (CID 139387819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).