3-bromo-1H-indole

C8H6BrN — CID 2763277

IUPAC3-bromo-1H-indole
SMILESBrc1c[nH]c2ccccc12
InChIInChI=1S/C8H6BrN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyYHIWBVHIGCRVLE-UHFFFAOYSA-N
MW196.05 g/mol
LogP2.93
Rot. Bonds

About 3-bromo-1H-indole

3-bromo-1H-indole (PubChem CID 2763277) has the molecular formula C8H6BrN and a molecular weight of 196.05 g/mol. Its IUPAC name is 3-bromo-1H-indole.

Molecular Properties

Compound Name3-bromo-1H-indole
PubChem CID2763277
Molecular FormulaC8H6BrN
Molecular Weight196.05 g/mol
Exact Mass194.97
IUPAC Name3-bromo-1H-indole
SMILESBrc1c[nH]c2ccccc12
InChIInChI=1S/C8H6BrN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyYHIWBVHIGCRVLE-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

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-indole?
The IUPAC name of 3-bromo-1H-indole (CID 2763277) is 3-bromo-1H-indole.
What is the SMILES notation for 3-bromo-1H-indole?
The canonical SMILES for 3-bromo-1H-indole is Brc1c[nH]c2ccccc12.
What is the InChIKey of 3-bromo-1H-indole?
The InChIKey is YHIWBVHIGCRVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H.
What are the key properties of 3-bromo-1H-indole?
3-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 3-bromo-1H-indole is sourced from PubChem (CID 2763277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).