2-bromo-1-methylindole

C9H8BrN — CID 13230126

IUPAC2-bromo-1-methylindole
SMILESCn1c(Br)cc2ccccc21
InChIInChI=1S/C9H8BrN/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-6H,1H3
InChIKeyLWZBTVYFUVWJLB-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.94
Rot. Bonds

About 2-bromo-1-methylindole

2-bromo-1-methylindole (PubChem CID 13230126) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-bromo-1-methylindole.

Molecular Properties

Compound Name2-bromo-1-methylindole
PubChem CID13230126
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name2-bromo-1-methylindole
SMILESCn1c(Br)cc2ccccc21
InChIInChI=1S/C9H8BrN/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-6H,1H3
InChIKeyLWZBTVYFUVWJLB-UHFFFAOYSA-N
XLogP2.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methylindole?
The IUPAC name of 2-bromo-1-methylindole (CID 13230126) is 2-bromo-1-methylindole.
What is the SMILES notation for 2-bromo-1-methylindole?
The canonical SMILES for 2-bromo-1-methylindole is Cn1c(Br)cc2ccccc21.
What is the InChIKey of 2-bromo-1-methylindole?
The InChIKey is LWZBTVYFUVWJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-6H,1H3.
What are the key properties of 2-bromo-1-methylindole?
2-bromo-1-methylindole has a molecular weight of 210.07 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methylindole is sourced from PubChem (CID 13230126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).