2,3-dibromo-2-methylbutanenitrile

C5H7Br2N — CID 3020796

IUPAC2,3-dibromo-2-methylbutanenitrile
SMILESCC(Br)C(C)(Br)C#N
InChIInChI=1S/C5H7Br2N/c1-4(6)5(2,7)3-8/h4H,1-2H3
InChIKeySBFUFGSTQOIQIN-UHFFFAOYSA-N
MW240.93 g/mol
LogP2.45
Rot. Bonds1

About 2,3-dibromo-2-methylbutanenitrile

2,3-dibromo-2-methylbutanenitrile (PubChem CID 3020796) has the molecular formula C5H7Br2N and a molecular weight of 240.93 g/mol. Its IUPAC name is 2,3-dibromo-2-methylbutanenitrile.

Molecular Properties

Compound Name2,3-dibromo-2-methylbutanenitrile
PubChem CID3020796
Molecular FormulaC5H7Br2N
Molecular Weight240.93 g/mol
Exact Mass238.89
IUPAC Name2,3-dibromo-2-methylbutanenitrile
SMILESCC(Br)C(C)(Br)C#N
InChIInChI=1S/C5H7Br2N/c1-4(6)5(2,7)3-8/h4H,1-2H3
InChIKeySBFUFGSTQOIQIN-UHFFFAOYSA-N
XLogP2.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.93
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-2-methylbutanenitrile?
The IUPAC name of 2,3-dibromo-2-methylbutanenitrile (CID 3020796) is 2,3-dibromo-2-methylbutanenitrile.
What is the SMILES notation for 2,3-dibromo-2-methylbutanenitrile?
The canonical SMILES for 2,3-dibromo-2-methylbutanenitrile is CC(Br)C(C)(Br)C#N.
What is the InChIKey of 2,3-dibromo-2-methylbutanenitrile?
The InChIKey is SBFUFGSTQOIQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2N/c1-4(6)5(2,7)3-8/h4H,1-2H3.
What are the key properties of 2,3-dibromo-2-methylbutanenitrile?
2,3-dibromo-2-methylbutanenitrile has a molecular weight of 240.93 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2-methylbutanenitrile is sourced from PubChem (CID 3020796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).