3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile

C12H16BrNOSi — CID 141252401

IUPAC3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile
SMILESC[Si](C)(C)OC(C#N)Cc1ccccc1Br
InChIInChI=1S/C12H16BrNOSi/c1-16(2,3)15-11(9-14)8-10-6-4-5-7-12(10)13/h4-7,11H,8H2,1-3H3
InChIKeyKPUYEIUXIMKCOD-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.74
Rot. Bonds4

About 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile

3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile (PubChem CID 141252401) has the molecular formula C12H16BrNOSi and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile
PubChem CID141252401
Molecular FormulaC12H16BrNOSi
Molecular Weight298.26 g/mol
Exact Mass297.02
IUPAC Name3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile
SMILESC[Si](C)(C)OC(C#N)Cc1ccccc1Br
InChIInChI=1S/C12H16BrNOSi/c1-16(2,3)15-11(9-14)8-10-6-4-5-7-12(10)13/h4-7,11H,8H2,1-3H3
InChIKeyKPUYEIUXIMKCOD-UHFFFAOYSA-N
XLogP3.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-(2-bromophenyl)propanenitrile
CID 82124411
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
2-[[(2-bromophenyl)methylamino]methyl]butanenitrile
CID 115253867
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668
2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
CID 60798582
1-(2-bromophenyl)pent-4-yn-2-amine
CID 62828473
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine
CID 176959474
1-bromo-2-[2-(bromomethyl)-3-methoxypropyl]benzene
CID 103985183
1-(2-bromophenyl)-2-methylpentan-3-one
CID 10967063

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile (CID 141252401) is 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile is C[Si](C)(C)OC(C#N)Cc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is KPUYEIUXIMKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOSi/c1-16(2,3)15-11(9-14)8-10-6-4-5-7-12(10)13/h4-7,11H,8H2,1-3H3.
What are the key properties of 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile?
3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile has a molecular weight of 298.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 141252401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).