dichloromethane;molecular nitrogen

CH2Cl2N2 — CID 87488585

IUPACdichloromethane;molecular nitrogen
SMILESClCCl.N#N
InChIInChI=1S/CH2Cl2.N2/c2-1-3;1-2/h1H2;
InChIKeyCQMOHSUQTMMDPW-UHFFFAOYSA-N
MW112.95 g/mol
LogP1.45
Rot. Bonds

About dichloromethane;molecular nitrogen

dichloromethane;molecular nitrogen (PubChem CID 87488585) has the molecular formula CH2Cl2N2 and a molecular weight of 112.95 g/mol. Its IUPAC name is dichloromethane;molecular nitrogen.

Molecular Properties

Compound Namedichloromethane;molecular nitrogen
PubChem CID87488585
Molecular FormulaCH2Cl2N2
Molecular Weight112.95 g/mol
Exact Mass111.96
IUPAC Namedichloromethane;molecular nitrogen
SMILESClCCl.N#N
InChIInChI=1S/CH2Cl2.N2/c2-1-3;1-2/h1H2;
InChIKeyCQMOHSUQTMMDPW-UHFFFAOYSA-N
XLogP1.45
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.95
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichloromethane;molecular nitrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloromethane;molecular nitrogen?
The IUPAC name of dichloromethane;molecular nitrogen (CID 87488585) is dichloromethane;molecular nitrogen.
What is the SMILES notation for dichloromethane;molecular nitrogen?
The canonical SMILES for dichloromethane;molecular nitrogen is ClCCl.N#N.
What is the InChIKey of dichloromethane;molecular nitrogen?
The InChIKey is CQMOHSUQTMMDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2.N2/c2-1-3;1-2/h1H2;.
What are the key properties of dichloromethane;molecular nitrogen?
dichloromethane;molecular nitrogen has a molecular weight of 112.95 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;molecular nitrogen is sourced from PubChem (CID 87488585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).