N-(chloromethyl)methanimidoyl chloride

C2H3Cl2N — CID 76670533

IUPACN-(chloromethyl)methanimidoyl chloride
SMILESClC=NCCl
InChIInChI=1S/C2H3Cl2N/c3-1-5-2-4/h1H,2H2
InChIKeyLGXOFKJKUVFRKM-UHFFFAOYSA-N
MW111.96 g/mol
LogP1.45
Rot. Bonds1

About N-(chloromethyl)methanimidoyl chloride

N-(chloromethyl)methanimidoyl chloride (PubChem CID 76670533) has the molecular formula C2H3Cl2N and a molecular weight of 111.96 g/mol. Its IUPAC name is N-(chloromethyl)methanimidoyl chloride.

Molecular Properties

Compound NameN-(chloromethyl)methanimidoyl chloride
PubChem CID76670533
Molecular FormulaC2H3Cl2N
Molecular Weight111.96 g/mol
Exact Mass110.96
IUPAC NameN-(chloromethyl)methanimidoyl chloride
SMILESClC=NCCl
InChIInChI=1S/C2H3Cl2N/c3-1-5-2-4/h1H,2H2
InChIKeyLGXOFKJKUVFRKM-UHFFFAOYSA-N
XLogP1.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.96
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)methanimidoyl chloride?
The IUPAC name of N-(chloromethyl)methanimidoyl chloride (CID 76670533) is N-(chloromethyl)methanimidoyl chloride.
What is the SMILES notation for N-(chloromethyl)methanimidoyl chloride?
The canonical SMILES for N-(chloromethyl)methanimidoyl chloride is ClC=NCCl.
What is the InChIKey of N-(chloromethyl)methanimidoyl chloride?
The InChIKey is LGXOFKJKUVFRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl2N/c3-1-5-2-4/h1H,2H2.
What are the key properties of N-(chloromethyl)methanimidoyl chloride?
N-(chloromethyl)methanimidoyl chloride has a molecular weight of 111.96 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)methanimidoyl chloride is sourced from PubChem (CID 76670533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).