6-(bromomethyl)-1H-indole

C9H8BrN — CID 22062878

IUPAC6-(bromomethyl)-1H-indole
SMILESBrCc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H8BrN/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6H2
InChIKeyZIBVYMFZAJAQCY-UHFFFAOYSA-N
MW210.07 g/mol
LogP3.06
Rot. Bonds1

About 6-(bromomethyl)-1H-indole

6-(bromomethyl)-1H-indole (PubChem CID 22062878) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 6-(bromomethyl)-1H-indole.

Molecular Properties

Compound Name6-(bromomethyl)-1H-indole
PubChem CID22062878
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name6-(bromomethyl)-1H-indole
SMILESBrCc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H8BrN/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6H2
InChIKeyZIBVYMFZAJAQCY-UHFFFAOYSA-N
XLogP3.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
CID 103102150
6-[2-(3,4-difluorophenyl)ethyl]-1H-indole
CID 175599015
ethane;6-(2-methylpentyl)-1H-indole
CID 143267578
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
3-(1H-indol-6-yl)propanoic acid
CID 23178857
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine
CID 136575576
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
N-(1H-indol-6-ylmethyl)but-2-yn-1-amine
CID 102911908
(2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol
CID 162898381
6-(pyrrolidin-2-ylmethyl)-1H-indole
CID 10198107
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
CID 144853621

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-1H-indole?
The IUPAC name of 6-(bromomethyl)-1H-indole (CID 22062878) is 6-(bromomethyl)-1H-indole.
What is the SMILES notation for 6-(bromomethyl)-1H-indole?
The canonical SMILES for 6-(bromomethyl)-1H-indole is BrCc1ccc2cc[nH]c2c1.
What is the InChIKey of 6-(bromomethyl)-1H-indole?
The InChIKey is ZIBVYMFZAJAQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6H2.
What are the key properties of 6-(bromomethyl)-1H-indole?
6-(bromomethyl)-1H-indole has a molecular weight of 210.07 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-1H-indole is sourced from PubChem (CID 22062878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).