4-bromo-1-ethylindole-3-carbonitrile

C11H9BrN2 — CID 83785299

IUPAC4-bromo-1-ethylindole-3-carbonitrile
SMILESCCn1cc(C#N)c2c(Br)cccc21
InChIInChI=1S/C11H9BrN2/c1-2-14-7-8(6-13)11-9(12)4-3-5-10(11)14/h3-5,7H,2H2,1H3
InChIKeyDVBZAWHBNWVQMJ-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.30
Rot. Bonds1

About 4-bromo-1-ethylindole-3-carbonitrile

4-bromo-1-ethylindole-3-carbonitrile (PubChem CID 83785299) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 4-bromo-1-ethylindole-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-1-ethylindole-3-carbonitrile
PubChem CID83785299
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name4-bromo-1-ethylindole-3-carbonitrile
SMILESCCn1cc(C#N)c2c(Br)cccc21
InChIInChI=1S/C11H9BrN2/c1-2-14-7-8(6-13)11-9(12)4-3-5-10(11)14/h3-5,7H,2H2,1H3
InChIKeyDVBZAWHBNWVQMJ-UHFFFAOYSA-N
XLogP3.30
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethylindole-3-carbonitrile?
The IUPAC name of 4-bromo-1-ethylindole-3-carbonitrile (CID 83785299) is 4-bromo-1-ethylindole-3-carbonitrile.
What is the SMILES notation for 4-bromo-1-ethylindole-3-carbonitrile?
The canonical SMILES for 4-bromo-1-ethylindole-3-carbonitrile is CCn1cc(C#N)c2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-ethylindole-3-carbonitrile?
The InChIKey is DVBZAWHBNWVQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-2-14-7-8(6-13)11-9(12)4-3-5-10(11)14/h3-5,7H,2H2,1H3.
What are the key properties of 4-bromo-1-ethylindole-3-carbonitrile?
4-bromo-1-ethylindole-3-carbonitrile has a molecular weight of 249.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethylindole-3-carbonitrile is sourced from PubChem (CID 83785299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).