7-bromo-1H-indole

C8H6BrN — CID 2757020

IUPAC7-bromo-1H-indole
SMILESBrc1cccc2cc[nH]c12
InChIInChI=1S/C8H6BrN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKeyRDSVSEFWZUWZHW-UHFFFAOYSA-N
MW196.05 g/mol
LogP2.93
Rot. Bonds

About 7-bromo-1H-indole

7-bromo-1H-indole (PubChem CID 2757020) has the molecular formula C8H6BrN and a molecular weight of 196.05 g/mol. Its IUPAC name is 7-bromo-1H-indole.

Molecular Properties

Compound Name7-bromo-1H-indole
PubChem CID2757020
Molecular FormulaC8H6BrN
Molecular Weight196.05 g/mol
Exact Mass194.97
IUPAC Name7-bromo-1H-indole
SMILESBrc1cccc2cc[nH]c12
InChIInChI=1S/C8H6BrN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKeyRDSVSEFWZUWZHW-UHFFFAOYSA-N
XLogP2.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-indole?
The IUPAC name of 7-bromo-1H-indole (CID 2757020) is 7-bromo-1H-indole.
What is the SMILES notation for 7-bromo-1H-indole?
The canonical SMILES for 7-bromo-1H-indole is Brc1cccc2cc[nH]c12.
What is the InChIKey of 7-bromo-1H-indole?
The InChIKey is RDSVSEFWZUWZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H.
What are the key properties of 7-bromo-1H-indole?
7-bromo-1H-indole has a molecular weight of 196.05 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-indole is sourced from PubChem (CID 2757020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).