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

C10H9BrFN — CID 139324903

IUPAC6-bromo-4-fluoro-2,3-dimethyl-2H-indole
SMILESCC1=c2c(F)cc(Br)cc2=NC1C
InChIInChI=1S/C10H9BrFN/c1-5-6(2)13-9-4-7(11)3-8(12)10(5)9/h3-4,6H,1-2H3
InChIKeyGYTJODJDFZOUFI-UHFFFAOYSA-N
MW242.09 g/mol
LogP1.78
Rot. Bonds

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

6-bromo-4-fluoro-2,3-dimethyl-2H-indole (PubChem CID 139324903) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2,3-dimethyl-2H-indole.

Molecular Properties

Compound Name6-bromo-4-fluoro-2,3-dimethyl-2H-indole
PubChem CID139324903
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name6-bromo-4-fluoro-2,3-dimethyl-2H-indole
SMILESCC1=c2c(F)cc(Br)cc2=NC1C
InChIInChI=1S/C10H9BrFN/c1-5-6(2)13-9-4-7(11)3-8(12)10(5)9/h3-4,6H,1-2H3
InChIKeyGYTJODJDFZOUFI-UHFFFAOYSA-N
XLogP1.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2,3-dimethyl-2H-indole?
The IUPAC name of 6-bromo-4-fluoro-2,3-dimethyl-2H-indole (CID 139324903) is 6-bromo-4-fluoro-2,3-dimethyl-2H-indole.
What is the SMILES notation for 6-bromo-4-fluoro-2,3-dimethyl-2H-indole?
The canonical SMILES for 6-bromo-4-fluoro-2,3-dimethyl-2H-indole is CC1=c2c(F)cc(Br)cc2=NC1C.
What is the InChIKey of 6-bromo-4-fluoro-2,3-dimethyl-2H-indole?
The InChIKey is GYTJODJDFZOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-5-6(2)13-9-4-7(11)3-8(12)10(5)9/h3-4,6H,1-2H3.
What are the key properties of 6-bromo-4-fluoro-2,3-dimethyl-2H-indole?
6-bromo-4-fluoro-2,3-dimethyl-2H-indole has a molecular weight of 242.09 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2,3-dimethyl-2H-indole is sourced from PubChem (CID 139324903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).