2-(bromomethyl)-1-methylindole

C10H10BrN — CID 58970525

IUPAC2-(bromomethyl)-1-methylindole
SMILESCn1c(CBr)cc2ccccc21
InChIInChI=1S/C10H10BrN/c1-12-9(7-11)6-8-4-2-3-5-10(8)12/h2-6H,7H2,1H3
InChIKeyIBIRWTYYSAVLNY-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.07
Rot. Bonds1

About 2-(bromomethyl)-1-methylindole

2-(bromomethyl)-1-methylindole (PubChem CID 58970525) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-(bromomethyl)-1-methylindole.

Molecular Properties

Compound Name2-(bromomethyl)-1-methylindole
PubChem CID58970525
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name2-(bromomethyl)-1-methylindole
SMILESCn1c(CBr)cc2ccccc21
InChIInChI=1S/C10H10BrN/c1-12-9(7-11)6-8-4-2-3-5-10(8)12/h2-6H,7H2,1H3
InChIKeyIBIRWTYYSAVLNY-UHFFFAOYSA-N
XLogP3.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-methylindole?
The IUPAC name of 2-(bromomethyl)-1-methylindole (CID 58970525) is 2-(bromomethyl)-1-methylindole.
What is the SMILES notation for 2-(bromomethyl)-1-methylindole?
The canonical SMILES for 2-(bromomethyl)-1-methylindole is Cn1c(CBr)cc2ccccc21.
What is the InChIKey of 2-(bromomethyl)-1-methylindole?
The InChIKey is IBIRWTYYSAVLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-12-9(7-11)6-8-4-2-3-5-10(8)12/h2-6H,7H2,1H3.
What are the key properties of 2-(bromomethyl)-1-methylindole?
2-(bromomethyl)-1-methylindole has a molecular weight of 224.10 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-methylindole is sourced from PubChem (CID 58970525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).