2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile

C12H11BrN2 — CID 86668667

IUPAC2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H11BrN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,1-2H3
InChIKeyLETCNCKDAVPQIY-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.73
Rot. Bonds1

About 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile

2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile (PubChem CID 86668667) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile
PubChem CID86668667
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H11BrN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,1-2H3
InChIKeyLETCNCKDAVPQIY-UHFFFAOYSA-N
XLogP3.73
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile
CID 73013513
2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile
CID 154958366
6-bromo-3-[2-(6-bromo-1H-indol-3-yl)propan-2-yl]-1H-indole
CID 155941539
2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile
CID 11324747
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-methylpropanenitrile
CID 169304659
5-bromo-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897891
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile
CID 121439452

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile (CID 86668667) is 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile is CC(C)(C#N)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile?
The InChIKey is LETCNCKDAVPQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,1-2H3.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile?
2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile has a molecular weight of 263.14 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile is sourced from PubChem (CID 86668667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).