2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile

C8H8Br2Cl4N2 — CID 175198471

IUPAC2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile
SMILESCC(Br)(C#N)CBr.N#CC(Cl)(CCl)C(Cl)Cl
InChIInChI=1S/C4H5Br2N.C4H3Cl4N/c1-4(6,2-5)3-7;5-1-4(8,2-9)3(6)7/h2H2,1H3;3H,1H2
InChIKeyIAGZBTQKQQSWQX-UHFFFAOYSA-N
MW433.79 g/mol
LogP4.59
Rot. Bonds3

About 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile

2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile (PubChem CID 175198471) has the molecular formula C8H8Br2Cl4N2 and a molecular weight of 433.79 g/mol. Its IUPAC name is 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile.

Molecular Properties

Compound Name2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile
PubChem CID175198471
Molecular FormulaC8H8Br2Cl4N2
Molecular Weight433.79 g/mol
Exact Mass429.78
IUPAC Name2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile
SMILESCC(Br)(C#N)CBr.N#CC(Cl)(CCl)C(Cl)Cl
InChIInChI=1S/C4H5Br2N.C4H3Cl4N/c1-4(6,2-5)3-7;5-1-4(8,2-9)3(6)7/h2H2,1H3;3H,1H2
InChIKeyIAGZBTQKQQSWQX-UHFFFAOYSA-N
XLogP4.59
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.79
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile?
The IUPAC name of 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile (CID 175198471) is 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile.
What is the SMILES notation for 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile?
The canonical SMILES for 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile is CC(Br)(C#N)CBr.N#CC(Cl)(CCl)C(Cl)Cl.
What is the InChIKey of 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile?
The InChIKey is IAGZBTQKQQSWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br2N.C4H3Cl4N/c1-4(6,2-5)3-7;5-1-4(8,2-9)3(6)7/h2H2,1H3;3H,1H2.
What are the key properties of 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile?
2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile has a molecular weight of 433.79 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2-methylpropanenitrile;2,3,3-trichloro-2-(chloromethyl)propanenitrile is sourced from PubChem (CID 175198471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).