4-bromo-6-fluoro-2,3-dimethyl-1H-indole

C10H9BrFN — CID 130050026

IUPAC4-bromo-6-fluoro-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2cc(F)cc(Br)c2c1C
InChIInChI=1S/C10H9BrFN/c1-5-6(2)13-9-4-7(12)3-8(11)10(5)9/h3-4,13H,1-2H3
InChIKeyIICDVJJXLXSTSR-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.69
Rot. Bonds

About 4-bromo-6-fluoro-2,3-dimethyl-1H-indole

4-bromo-6-fluoro-2,3-dimethyl-1H-indole (PubChem CID 130050026) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name4-bromo-6-fluoro-2,3-dimethyl-1H-indole
PubChem CID130050026
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name4-bromo-6-fluoro-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2cc(F)cc(Br)c2c1C
InChIInChI=1S/C10H9BrFN/c1-5-6(2)13-9-4-7(12)3-8(11)10(5)9/h3-4,13H,1-2H3
InChIKeyIICDVJJXLXSTSR-UHFFFAOYSA-N
XLogP3.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 4-bromo-6-fluoro-2,3-dimethyl-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-fluoro-2,3-dimethyl-1H-indole?
The IUPAC name of 4-bromo-6-fluoro-2,3-dimethyl-1H-indole (CID 130050026) is 4-bromo-6-fluoro-2,3-dimethyl-1H-indole.
What is the SMILES notation for 4-bromo-6-fluoro-2,3-dimethyl-1H-indole?
The canonical SMILES for 4-bromo-6-fluoro-2,3-dimethyl-1H-indole is Cc1[nH]c2cc(F)cc(Br)c2c1C.
What is the InChIKey of 4-bromo-6-fluoro-2,3-dimethyl-1H-indole?
The InChIKey is IICDVJJXLXSTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-5-6(2)13-9-4-7(12)3-8(11)10(5)9/h3-4,13H,1-2H3.
What are the key properties of 4-bromo-6-fluoro-2,3-dimethyl-1H-indole?
4-bromo-6-fluoro-2,3-dimethyl-1H-indole has a molecular weight of 242.09 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2,3-dimethyl-1H-indole is sourced from PubChem (CID 130050026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).