2-bromo-1H-indole

C8H6BrN — CID 11805631

IUPAC2-bromo-1H-indole
SMILESBrc1cc2ccccc2[nH]1
InChIInChI=1S/C8H6BrN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
InChIKeyZPRQXVPYQGBZON-UHFFFAOYSA-N
MW196.05 g/mol
LogP2.93
Rot. Bonds

About 2-bromo-1H-indole

2-bromo-1H-indole (PubChem CID 11805631) has the molecular formula C8H6BrN and a molecular weight of 196.05 g/mol. Its IUPAC name is 2-bromo-1H-indole.

Molecular Properties

Compound Name2-bromo-1H-indole
PubChem CID11805631
Molecular FormulaC8H6BrN
Molecular Weight196.05 g/mol
Exact Mass194.97
IUPAC Name2-bromo-1H-indole
SMILESBrc1cc2ccccc2[nH]1
InChIInChI=1S/C8H6BrN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
InChIKeyZPRQXVPYQGBZON-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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Related Compounds

2-bromo-1H-indole;prop-2-enyl carbonochloridate
CID 175251296
2-bromo-5-fluoro-1H-indole
CID 84680101
2-methyl-1H-indole;hydrofluoride
CID 163912177
benzene;2-methyl-1H-indole
CID 158804583
bis(1H-indol-2-yl)phosphane
CID 151093221
2-bromo-1H-indole-6-carboxamide
CID 174840846
ethane;1H-indole-2-carboxylic acid
CID 91052830
2-[2-(4-bromophenyl)ethyl]-1H-indole
CID 144993439
N-(1H-indol-2-yl)thiohydroxylamine
CID 152618520
2-phosphoroso-1H-indole
CID 135398151
2-(4-bromo-2-pyridinyl)-1H-indole
CID 152567330
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1H-indole?
The IUPAC name of 2-bromo-1H-indole (CID 11805631) is 2-bromo-1H-indole.
What is the SMILES notation for 2-bromo-1H-indole?
The canonical SMILES for 2-bromo-1H-indole is Brc1cc2ccccc2[nH]1.
What is the InChIKey of 2-bromo-1H-indole?
The InChIKey is ZPRQXVPYQGBZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H.
What are the key properties of 2-bromo-1H-indole?
2-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 2-bromo-1H-indole is sourced from PubChem (CID 11805631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).