5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole

C15H11BrFN — CID 146872025

IUPAC5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole
SMILESCc1c(Br)ccc2c1CC(c1ccc(F)cc1)=N2
InChIInChI=1S/C15H11BrFN/c1-9-12-8-15(10-2-4-11(17)5-3-10)18-14(12)7-6-13(9)16/h2-7H,8H2,1H3
InChIKeySOHZLNDFFIOKRO-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.57
Rot. Bonds1

About 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole

5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole (PubChem CID 146872025) has the molecular formula C15H11BrFN and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole
PubChem CID146872025
Molecular FormulaC15H11BrFN
Molecular Weight304.16 g/mol
Exact Mass303.01
IUPAC Name5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole
SMILESCc1c(Br)ccc2c1CC(c1ccc(F)cc1)=N2
InChIInChI=1S/C15H11BrFN/c1-9-12-8-15(10-2-4-11(17)5-3-10)18-14(12)7-6-13(9)16/h2-7H,8H2,1H3
InChIKeySOHZLNDFFIOKRO-UHFFFAOYSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole (CID 146872025) is 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole is Cc1c(Br)ccc2c1CC(c1ccc(F)cc1)=N2.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole?
The InChIKey is SOHZLNDFFIOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN/c1-9-12-8-15(10-2-4-11(17)5-3-10)18-14(12)7-6-13(9)16/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole?
5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole has a molecular weight of 304.16 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole is sourced from PubChem (CID 146872025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).