3-(2,6-dibromophenoxy)-2-methylpropanenitrile

C10H9Br2NO — CID 43367465

IUPAC3-(2,6-dibromophenoxy)-2-methylpropanenitrile
SMILESCC(C#N)COc1c(Br)cccc1Br
InChIInChI=1S/C10H9Br2NO/c1-7(5-13)6-14-10-8(11)3-2-4-9(10)12/h2-4,7H,6H2,1H3
InChIKeyVDTDNLVUDJJOIR-UHFFFAOYSA-N
MW319.00 g/mol
LogP3.75
Rot. Bonds3

About 3-(2,6-dibromophenoxy)-2-methylpropanenitrile

3-(2,6-dibromophenoxy)-2-methylpropanenitrile (PubChem CID 43367465) has the molecular formula C10H9Br2NO and a molecular weight of 319.00 g/mol. Its IUPAC name is 3-(2,6-dibromophenoxy)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2,6-dibromophenoxy)-2-methylpropanenitrile
PubChem CID43367465
Molecular FormulaC10H9Br2NO
Molecular Weight319.00 g/mol
Exact Mass316.91
IUPAC Name3-(2,6-dibromophenoxy)-2-methylpropanenitrile
SMILESCC(C#N)COc1c(Br)cccc1Br
InChIInChI=1S/C10H9Br2NO/c1-7(5-13)6-14-10-8(11)3-2-4-9(10)12/h2-4,7H,6H2,1H3
InChIKeyVDTDNLVUDJJOIR-UHFFFAOYSA-N
XLogP3.75
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylphenoxy)-2-methylpropanenitrile
CID 43367428
3-(3-aminophenoxy)-2-methylpropanenitrile
CID 61036010
2-methyl-3-(3-methylsulfonylphenoxy)propanenitrile
CID 43806985
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
CID 61392513
3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
CID 107599348
(2,6-dibromophenyl) cyanate
CID 66733581
3-(2,5-dimethylphenoxy)-2-methylpropanenitrile
CID 43174872
2-[2-bromo-6-(bromomethyl)phenoxy]acetonitrile
CID 61392074
4-[3-(2,6-dibromophenoxy)propoxy]benzonitrile
CID 43289580
2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one
CID 134618841

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenoxy)-2-methylpropanenitrile?
The IUPAC name of 3-(2,6-dibromophenoxy)-2-methylpropanenitrile (CID 43367465) is 3-(2,6-dibromophenoxy)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2,6-dibromophenoxy)-2-methylpropanenitrile?
The canonical SMILES for 3-(2,6-dibromophenoxy)-2-methylpropanenitrile is CC(C#N)COc1c(Br)cccc1Br.
What is the InChIKey of 3-(2,6-dibromophenoxy)-2-methylpropanenitrile?
The InChIKey is VDTDNLVUDJJOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO/c1-7(5-13)6-14-10-8(11)3-2-4-9(10)12/h2-4,7H,6H2,1H3.
What are the key properties of 3-(2,6-dibromophenoxy)-2-methylpropanenitrile?
3-(2,6-dibromophenoxy)-2-methylpropanenitrile has a molecular weight of 319.00 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenoxy)-2-methylpropanenitrile is sourced from PubChem (CID 43367465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).