5-bromo-2-phenyl-1H-indole

C14H10BrN — CID 838923

IUPAC5-bromo-2-phenyl-1H-indole
SMILESBrc1ccc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C14H10BrN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9,16H
InChIKeyXGOWHPSXPPZWAH-UHFFFAOYSA-N
MW272.15 g/mol
LogP4.60
Rot. Bonds1

About 5-bromo-2-phenyl-1H-indole

5-bromo-2-phenyl-1H-indole (PubChem CID 838923) has the molecular formula C14H10BrN and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-2-phenyl-1H-indole.

Molecular Properties

Compound Name5-bromo-2-phenyl-1H-indole
PubChem CID838923
Molecular FormulaC14H10BrN
Molecular Weight272.15 g/mol
Exact Mass271.00
IUPAC Name5-bromo-2-phenyl-1H-indole
SMILESBrc1ccc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C14H10BrN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9,16H
InChIKeyXGOWHPSXPPZWAH-UHFFFAOYSA-N
XLogP4.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyl-1H-indole?
The IUPAC name of 5-bromo-2-phenyl-1H-indole (CID 838923) is 5-bromo-2-phenyl-1H-indole.
What is the SMILES notation for 5-bromo-2-phenyl-1H-indole?
The canonical SMILES for 5-bromo-2-phenyl-1H-indole is Brc1ccc2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 5-bromo-2-phenyl-1H-indole?
The InChIKey is XGOWHPSXPPZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9,16H.
What are the key properties of 5-bromo-2-phenyl-1H-indole?
5-bromo-2-phenyl-1H-indole has a molecular weight of 272.15 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-1H-indole is sourced from PubChem (CID 838923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).