3-(chloromethyl)-6-propan-2-yloxypyridazine

C8H11ClN2O — CID 61267484

IUPAC3-(chloromethyl)-6-propan-2-yloxypyridazine
SMILESCC(C)Oc1ccc(CCl)nn1
InChIInChI=1S/C8H11ClN2O/c1-6(2)12-8-4-3-7(5-9)10-11-8/h3-4,6H,5H2,1-2H3
InChIKeyQLEWKINQNCSCLA-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.00
Rot. Bonds3

About 3-(chloromethyl)-6-propan-2-yloxypyridazine

3-(chloromethyl)-6-propan-2-yloxypyridazine (PubChem CID 61267484) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 3-(chloromethyl)-6-propan-2-yloxypyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-propan-2-yloxypyridazine
PubChem CID61267484
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name3-(chloromethyl)-6-propan-2-yloxypyridazine
SMILESCC(C)Oc1ccc(CCl)nn1
InChIInChI=1S/C8H11ClN2O/c1-6(2)12-8-4-3-7(5-9)10-11-8/h3-4,6H,5H2,1-2H3
InChIKeyQLEWKINQNCSCLA-UHFFFAOYSA-N
XLogP2.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-6-propan-2-yloxypyridazine 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 3-(chloromethyl)-6-propan-2-yloxypyridazine?
The IUPAC name of 3-(chloromethyl)-6-propan-2-yloxypyridazine (CID 61267484) is 3-(chloromethyl)-6-propan-2-yloxypyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-propan-2-yloxypyridazine?
The canonical SMILES for 3-(chloromethyl)-6-propan-2-yloxypyridazine is CC(C)Oc1ccc(CCl)nn1.
What is the InChIKey of 3-(chloromethyl)-6-propan-2-yloxypyridazine?
The InChIKey is QLEWKINQNCSCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-6(2)12-8-4-3-7(5-9)10-11-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(chloromethyl)-6-propan-2-yloxypyridazine?
3-(chloromethyl)-6-propan-2-yloxypyridazine has a molecular weight of 186.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-propan-2-yloxypyridazine is sourced from PubChem (CID 61267484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).