3-chloro-5-methylpyridazine;dichloromethane

C6H7Cl3N2 — CID 163342385

IUPAC3-chloro-5-methylpyridazine;dichloromethane
SMILESCc1cnnc(Cl)c1.ClCCl
InChIInChI=1S/C5H5ClN2.CH2Cl2/c1-4-2-5(6)8-7-3-4;2-1-3/h2-3H,1H3;1H2
InChIKeyJUJDZCNNMPMOQI-UHFFFAOYSA-N
MW213.50 g/mol
LogP2.86
Rot. Bonds

About 3-chloro-5-methylpyridazine;dichloromethane

3-chloro-5-methylpyridazine;dichloromethane (PubChem CID 163342385) has the molecular formula C6H7Cl3N2 and a molecular weight of 213.50 g/mol. Its IUPAC name is 3-chloro-5-methylpyridazine;dichloromethane.

Molecular Properties

Compound Name3-chloro-5-methylpyridazine;dichloromethane
PubChem CID163342385
Molecular FormulaC6H7Cl3N2
Molecular Weight213.50 g/mol
Exact Mass211.97
IUPAC Name3-chloro-5-methylpyridazine;dichloromethane
SMILESCc1cnnc(Cl)c1.ClCCl
InChIInChI=1S/C5H5ClN2.CH2Cl2/c1-4-2-5(6)8-7-3-4;2-1-3/h2-3H,1H3;1H2
InChIKeyJUJDZCNNMPMOQI-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.50
LogP ≤ 52.86
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 3-chloro-5-methylpyridazine;dichloromethane?
The IUPAC name of 3-chloro-5-methylpyridazine;dichloromethane (CID 163342385) is 3-chloro-5-methylpyridazine;dichloromethane.
What is the SMILES notation for 3-chloro-5-methylpyridazine;dichloromethane?
The canonical SMILES for 3-chloro-5-methylpyridazine;dichloromethane is Cc1cnnc(Cl)c1.ClCCl.
What is the InChIKey of 3-chloro-5-methylpyridazine;dichloromethane?
The InChIKey is JUJDZCNNMPMOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2.CH2Cl2/c1-4-2-5(6)8-7-3-4;2-1-3/h2-3H,1H3;1H2.
What are the key properties of 3-chloro-5-methylpyridazine;dichloromethane?
3-chloro-5-methylpyridazine;dichloromethane has a molecular weight of 213.50 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methylpyridazine;dichloromethane is sourced from PubChem (CID 163342385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).