2-(2-bromophenyl)-5,7-dimethyl-1H-indole

C16H14BrN — CID 131886941

IUPAC2-(2-bromophenyl)-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]c(-c3ccccc3Br)cc2c1
InChIInChI=1S/C16H14BrN/c1-10-7-11(2)16-12(8-10)9-15(18-16)13-5-3-4-6-14(13)17/h3-9,18H,1-2H3
InChIKeyFUFQLPWPPIAZKV-UHFFFAOYSA-N
MW300.20 g/mol
LogP5.21
Rot. Bonds1

About 2-(2-bromophenyl)-5,7-dimethyl-1H-indole

2-(2-bromophenyl)-5,7-dimethyl-1H-indole (PubChem CID 131886941) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5,7-dimethyl-1H-indole
PubChem CID131886941
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name2-(2-bromophenyl)-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]c(-c3ccccc3Br)cc2c1
InChIInChI=1S/C16H14BrN/c1-10-7-11(2)16-12(8-10)9-15(18-16)13-5-3-4-6-14(13)17/h3-9,18H,1-2H3
InChIKeyFUFQLPWPPIAZKV-UHFFFAOYSA-N
XLogP5.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.20
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5,7-dimethyl-1H-indole?
The IUPAC name of 2-(2-bromophenyl)-5,7-dimethyl-1H-indole (CID 131886941) is 2-(2-bromophenyl)-5,7-dimethyl-1H-indole.
What is the SMILES notation for 2-(2-bromophenyl)-5,7-dimethyl-1H-indole?
The canonical SMILES for 2-(2-bromophenyl)-5,7-dimethyl-1H-indole is Cc1cc(C)c2[nH]c(-c3ccccc3Br)cc2c1.
What is the InChIKey of 2-(2-bromophenyl)-5,7-dimethyl-1H-indole?
The InChIKey is FUFQLPWPPIAZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c1-10-7-11(2)16-12(8-10)9-15(18-16)13-5-3-4-6-14(13)17/h3-9,18H,1-2H3.
What are the key properties of 2-(2-bromophenyl)-5,7-dimethyl-1H-indole?
2-(2-bromophenyl)-5,7-dimethyl-1H-indole has a molecular weight of 300.20 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5,7-dimethyl-1H-indole is sourced from PubChem (CID 131886941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).