2-chloro-2-(chlorodiazenyl)propanenitrile

C3H3Cl2N3 — CID 90268553

IUPAC2-chloro-2-(chlorodiazenyl)propanenitrile
SMILESCC(Cl)(C#N)N=NCl
InChIInChI=1S/C3H3Cl2N3/c1-3(4,2-6)7-8-5/h1H3
InChIKeyKFKWWARNOZILHZ-UHFFFAOYSA-N
MW151.98 g/mol
LogP2.07
Rot. Bonds1

About 2-chloro-2-(chlorodiazenyl)propanenitrile

2-chloro-2-(chlorodiazenyl)propanenitrile (PubChem CID 90268553) has the molecular formula C3H3Cl2N3 and a molecular weight of 151.98 g/mol. Its IUPAC name is 2-chloro-2-(chlorodiazenyl)propanenitrile.

Molecular Properties

Compound Name2-chloro-2-(chlorodiazenyl)propanenitrile
PubChem CID90268553
Molecular FormulaC3H3Cl2N3
Molecular Weight151.98 g/mol
Exact Mass150.97
IUPAC Name2-chloro-2-(chlorodiazenyl)propanenitrile
SMILESCC(Cl)(C#N)N=NCl
InChIInChI=1S/C3H3Cl2N3/c1-3(4,2-6)7-8-5/h1H3
InChIKeyKFKWWARNOZILHZ-UHFFFAOYSA-N
XLogP2.07
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.98
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(chlorodiazenyl)propanenitrile?
The IUPAC name of 2-chloro-2-(chlorodiazenyl)propanenitrile (CID 90268553) is 2-chloro-2-(chlorodiazenyl)propanenitrile.
What is the SMILES notation for 2-chloro-2-(chlorodiazenyl)propanenitrile?
The canonical SMILES for 2-chloro-2-(chlorodiazenyl)propanenitrile is CC(Cl)(C#N)N=NCl.
What is the InChIKey of 2-chloro-2-(chlorodiazenyl)propanenitrile?
The InChIKey is KFKWWARNOZILHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2N3/c1-3(4,2-6)7-8-5/h1H3.
What are the key properties of 2-chloro-2-(chlorodiazenyl)propanenitrile?
2-chloro-2-(chlorodiazenyl)propanenitrile has a molecular weight of 151.98 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(chlorodiazenyl)propanenitrile is sourced from PubChem (CID 90268553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).