3-(chloromethyl)-6-methylpyridazine;hydrochloride

C6H8Cl2N2 — CID 118994069

IUPAC3-(chloromethyl)-6-methylpyridazine;hydrochloride
SMILESCc1ccc(CCl)nn1.Cl
InChIInChI=1S/C6H7ClN2.ClH/c1-5-2-3-6(4-7)9-8-5;/h2-3H,4H2,1H3;1H
InChIKeyBIPZUYQQFOROMD-UHFFFAOYSA-N
MW179.05 g/mol
LogP1.95
Rot. Bonds1

About 3-(chloromethyl)-6-methylpyridazine;hydrochloride

3-(chloromethyl)-6-methylpyridazine;hydrochloride (PubChem CID 118994069) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is 3-(chloromethyl)-6-methylpyridazine;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-6-methylpyridazine;hydrochloride
PubChem CID118994069
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name3-(chloromethyl)-6-methylpyridazine;hydrochloride
SMILESCc1ccc(CCl)nn1.Cl
InChIInChI=1S/C6H7ClN2.ClH/c1-5-2-3-6(4-7)9-8-5;/h2-3H,4H2,1H3;1H
InChIKeyBIPZUYQQFOROMD-UHFFFAOYSA-N
XLogP1.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-6-methylpyridazine
CID 227254
3,6-Dimethylpyridazine
CID 527031
6-Methylpyridazine-3-carbonitrile
CID 13642941
4-Chloro-3,6-dimethylpyridazine
CID 12440099
3-Iodo-6-methylpyridazine
CID 12680258
3-(Chloromethyl)pyridazine hydrochloride
CID 22727009
3,6-Bis(chloromethyl)pyridazine
CID 68584328
US10221162, Example 765.0
CID 122702377
3-Fluoro-6-methylpyridazine
CID 12379809
3-tert-Butyl-6-chloropyridazine
CID 13499979
3-Chloro-6-(propan-2-yl)pyridazine
CID 17804555
3-Chloro-6-ethylpyridazine
CID 20539495

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-methylpyridazine;hydrochloride?
The IUPAC name of 3-(chloromethyl)-6-methylpyridazine;hydrochloride (CID 118994069) is 3-(chloromethyl)-6-methylpyridazine;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-6-methylpyridazine;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-6-methylpyridazine;hydrochloride is Cc1ccc(CCl)nn1.Cl.
What is the InChIKey of 3-(chloromethyl)-6-methylpyridazine;hydrochloride?
The InChIKey is BIPZUYQQFOROMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.ClH/c1-5-2-3-6(4-7)9-8-5;/h2-3H,4H2,1H3;1H.
What are the key properties of 3-(chloromethyl)-6-methylpyridazine;hydrochloride?
3-(chloromethyl)-6-methylpyridazine;hydrochloride has a molecular weight of 179.05 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-methylpyridazine;hydrochloride is sourced from PubChem (CID 118994069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).