4-bromo-2-(bromomethyl)-1H-indole

C9H7Br2N — CID 133062048

IUPAC4-bromo-2-(bromomethyl)-1H-indole
SMILESBrCc1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C9H7Br2N/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-4,12H,5H2
InChIKeyOPPGJWOUJXQYOA-UHFFFAOYSA-N
MW288.97 g/mol
LogP3.83
Rot. Bonds1

About 4-bromo-2-(bromomethyl)-1H-indole

4-bromo-2-(bromomethyl)-1H-indole (PubChem CID 133062048) has the molecular formula C9H7Br2N and a molecular weight of 288.97 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-1H-indole.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-1H-indole
PubChem CID133062048
Molecular FormulaC9H7Br2N
Molecular Weight288.97 g/mol
Exact Mass286.89
IUPAC Name4-bromo-2-(bromomethyl)-1H-indole
SMILESBrCc1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C9H7Br2N/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-4,12H,5H2
InChIKeyOPPGJWOUJXQYOA-UHFFFAOYSA-N
XLogP3.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromo-2-(bromomethyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-(chloromethyl)-1H-indole
CID 133054456
4-bromo-2-chloro-1H-indole
CID 19700309
4-bromo-2-phenyl-1H-indole
CID 15151163
3-[(4-bromo-1H-indol-2-yl)methylamino]-5-hydroxybenzoic acid
CID 166376539
2-[N-[(4-bromo-1H-indol-2-yl)methyl]-3-propan-2-ylanilino]ethanol
CID 166329406
1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine
CID 82378614
4-bromo-2-(2-chlorophenyl)-1H-indole
CID 59689098
4-chloro-2-(chloromethyl)-1H-indole;ethane
CID 145335969
4-bromo-N,N-dimethyl-1H-indole-2-carboxamide
CID 66897930
2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid
CID 167872537
(4-bromo-1H-indol-2-yl) ethyl carbonate
CID 129158532
5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine
CID 136985805

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-1H-indole?
The IUPAC name of 4-bromo-2-(bromomethyl)-1H-indole (CID 133062048) is 4-bromo-2-(bromomethyl)-1H-indole.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-1H-indole?
The canonical SMILES for 4-bromo-2-(bromomethyl)-1H-indole is BrCc1cc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-2-(bromomethyl)-1H-indole?
The InChIKey is OPPGJWOUJXQYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-4,12H,5H2.
What are the key properties of 4-bromo-2-(bromomethyl)-1H-indole?
4-bromo-2-(bromomethyl)-1H-indole has a molecular weight of 288.97 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-1H-indole is sourced from PubChem (CID 133062048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).