2-bromo-1-ethylindole

C10H10BrN — CID 20753566

IUPAC2-bromo-1-ethylindole
SMILESCCn1c(Br)cc2ccccc21
InChIInChI=1S/C10H10BrN/c1-2-12-9-6-4-3-5-8(9)7-10(12)11/h3-7H,2H2,1H3
InChIKeyWDQJHBSMBZZLGQ-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.42
Rot. Bonds1

About 2-bromo-1-ethylindole

2-bromo-1-ethylindole (PubChem CID 20753566) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-bromo-1-ethylindole.

Molecular Properties

Compound Name2-bromo-1-ethylindole
PubChem CID20753566
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name2-bromo-1-ethylindole
SMILESCCn1c(Br)cc2ccccc21
InChIInChI=1S/C10H10BrN/c1-2-12-9-6-4-3-5-8(9)7-10(12)11/h3-7H,2H2,1H3
InChIKeyWDQJHBSMBZZLGQ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-1-ethylquinolin-2-one
CID 116985609
2-(2-bromophenyl)-1-ethylindole
CID 141407041
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
1-ethylquinolin-2-one;hydrochloride
CID 141095108
2-(ethoxymethyl)-1-ethylindole
CID 117173973
3-(chloromethyl)-1-ethylquinolin-2-one
CID 18801760
1-(1-ethylindol-2-yl)propan-2-one
CID 115107033
2-(1-ethylindol-2-yl)acetamide
CID 67469018
2-(2-ethoxyethyl)-1-ethylindole
CID 46738621
1-ethylindole-2-carbohydrazide
CID 166595239
1-(2-ethylbutyl)-2-methylindole
CID 82925203
3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethylindole?
The IUPAC name of 2-bromo-1-ethylindole (CID 20753566) is 2-bromo-1-ethylindole.
What is the SMILES notation for 2-bromo-1-ethylindole?
The canonical SMILES for 2-bromo-1-ethylindole is CCn1c(Br)cc2ccccc21.
What is the InChIKey of 2-bromo-1-ethylindole?
The InChIKey is WDQJHBSMBZZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-2-12-9-6-4-3-5-8(9)7-10(12)11/h3-7H,2H2,1H3.
What are the key properties of 2-bromo-1-ethylindole?
2-bromo-1-ethylindole has a molecular weight of 224.10 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethylindole is sourced from PubChem (CID 20753566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).