6-bromo-7H-indole

C8H6BrN — CID 70188845

IUPAC6-bromo-7H-indole
SMILESBrC1=CC=C2C=CN=C2C1
InChIInChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-4H,5H2
InChIKeyUZBOEUQNBGGHLH-UHFFFAOYSA-N
MW196.05 g/mol
LogP2.56
Rot. Bonds

About 6-bromo-7H-indole

6-bromo-7H-indole (PubChem CID 70188845) has the molecular formula C8H6BrN and a molecular weight of 196.05 g/mol. Its IUPAC name is 6-bromo-7H-indole.

Molecular Properties

Compound Name6-bromo-7H-indole
PubChem CID70188845
Molecular FormulaC8H6BrN
Molecular Weight196.05 g/mol
Exact Mass194.97
IUPAC Name6-bromo-7H-indole
SMILESBrC1=CC=C2C=CN=C2C1
InChIInChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-4H,5H2
InChIKeyUZBOEUQNBGGHLH-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5H-Indole
CID 20712154
5-Bromo-5-chloroindole
CID 57022641
5-fluoro-7H-indole
CID 97295149
5-Bromo-5-fluoroindole
CID 123141869
4h-Indenopyridine
CID 129788783
Bromopyrroloindole
CID 138392253
(3aR)-5-bromo-7-(trifluoromethyl)-3aH-indole
CID 126421804
(3aS)-5-bromo-7-(trifluoromethyl)-3aH-indole
CID 126421805
(3aR)-4-bromo-7-fluoro-5-methyl-3aH-indole
CID 126421900
(3aS)-4-bromo-7-fluoro-5-methyl-3aH-indole
CID 126421905
7H-indole
CID 22406159
2-phenyl-3H-pyrrole
CID 57701522

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7H-indole?
The IUPAC name of 6-bromo-7H-indole (CID 70188845) is 6-bromo-7H-indole.
What is the SMILES notation for 6-bromo-7H-indole?
The canonical SMILES for 6-bromo-7H-indole is BrC1=CC=C2C=CN=C2C1.
What is the InChIKey of 6-bromo-7H-indole?
The InChIKey is UZBOEUQNBGGHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-4H,5H2.
What are the key properties of 6-bromo-7H-indole?
6-bromo-7H-indole has a molecular weight of 196.05 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7H-indole is sourced from PubChem (CID 70188845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).