2-(bromomethyl)-5-chloro-1H-indole

C9H7BrClN — CID 119086448

IUPAC2-(bromomethyl)-5-chloro-1H-indole
SMILESClc1ccc2[nH]c(CBr)cc2c1
InChIInChI=1S/C9H7BrClN/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4,12H,5H2
InChIKeyFJOTZYMPPVCORC-UHFFFAOYSA-N
MW244.52 g/mol
LogP3.72
Rot. Bonds1

About 2-(bromomethyl)-5-chloro-1H-indole

2-(bromomethyl)-5-chloro-1H-indole (PubChem CID 119086448) has the molecular formula C9H7BrClN and a molecular weight of 244.52 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-1H-indole.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-1H-indole
PubChem CID119086448
Molecular FormulaC9H7BrClN
Molecular Weight244.52 g/mol
Exact Mass242.95
IUPAC Name2-(bromomethyl)-5-chloro-1H-indole
SMILESClc1ccc2[nH]c(CBr)cc2c1
InChIInChI=1S/C9H7BrClN/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4,12H,5H2
InChIKeyFJOTZYMPPVCORC-UHFFFAOYSA-N
XLogP3.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-5-chloro-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

5-chloro-2-(ethoxymethyl)-1H-indole
CID 117176866
5-chloro-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117176612
5-chloro-2-(propan-2-yloxymethyl)-1H-indole
CID 117176868
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
CID 117176618
(2R)-3-(5-chloro-1H-indol-2-yl)-2-methylpropanoic acid
CID 96820552
N-[(5-chloro-1H-indol-2-yl)methyl]butan-1-amine
CID 134859783
5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole
CID 117176713
5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole
CID 162299734
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
CID 170632349
2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid
CID 152714071

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-1H-indole?
The IUPAC name of 2-(bromomethyl)-5-chloro-1H-indole (CID 119086448) is 2-(bromomethyl)-5-chloro-1H-indole.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-1H-indole?
The canonical SMILES for 2-(bromomethyl)-5-chloro-1H-indole is Clc1ccc2[nH]c(CBr)cc2c1.
What is the InChIKey of 2-(bromomethyl)-5-chloro-1H-indole?
The InChIKey is FJOTZYMPPVCORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4,12H,5H2.
What are the key properties of 2-(bromomethyl)-5-chloro-1H-indole?
2-(bromomethyl)-5-chloro-1H-indole has a molecular weight of 244.52 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-chloro-1H-indole is sourced from PubChem (CID 119086448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).