5-bromo-2-(3-methylphenyl)-1H-indole

C15H12BrN — CID 131887155

IUPAC5-bromo-2-(3-methylphenyl)-1H-indole
SMILESCc1cccc(-c2cc3cc(Br)ccc3[nH]2)c1
InChIInChI=1S/C15H12BrN/c1-10-3-2-4-11(7-10)15-9-12-8-13(16)5-6-14(12)17-15/h2-9,17H,1H3
InChIKeyUPPWSZSCUIUYLB-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.91
Rot. Bonds1

About 5-bromo-2-(3-methylphenyl)-1H-indole

5-bromo-2-(3-methylphenyl)-1H-indole (PubChem CID 131887155) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-(3-methylphenyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-2-(3-methylphenyl)-1H-indole
PubChem CID131887155
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name5-bromo-2-(3-methylphenyl)-1H-indole
SMILESCc1cccc(-c2cc3cc(Br)ccc3[nH]2)c1
InChIInChI=1S/C15H12BrN/c1-10-3-2-4-11(7-10)15-9-12-8-13(16)5-6-14(12)17-15/h2-9,17H,1H3
InChIKeyUPPWSZSCUIUYLB-UHFFFAOYSA-N
XLogP4.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylphenyl)-1H-indole?
The IUPAC name of 5-bromo-2-(3-methylphenyl)-1H-indole (CID 131887155) is 5-bromo-2-(3-methylphenyl)-1H-indole.
What is the SMILES notation for 5-bromo-2-(3-methylphenyl)-1H-indole?
The canonical SMILES for 5-bromo-2-(3-methylphenyl)-1H-indole is Cc1cccc(-c2cc3cc(Br)ccc3[nH]2)c1.
What is the InChIKey of 5-bromo-2-(3-methylphenyl)-1H-indole?
The InChIKey is UPPWSZSCUIUYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN/c1-10-3-2-4-11(7-10)15-9-12-8-13(16)5-6-14(12)17-15/h2-9,17H,1H3.
What are the key properties of 5-bromo-2-(3-methylphenyl)-1H-indole?
5-bromo-2-(3-methylphenyl)-1H-indole has a molecular weight of 286.17 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylphenyl)-1H-indole is sourced from PubChem (CID 131887155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).