3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine

C12H12ClN3O — CID 61269892

IUPAC3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
SMILESClCc1ccc(OCCc2ccccn2)nn1
InChIInChI=1S/C12H12ClN3O/c13-9-11-4-5-12(16-15-11)17-8-6-10-3-1-2-7-14-10/h1-5,7H,6,8-9H2
InChIKeyXFIFQMBCFOTYHJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.23
Rot. Bonds5

About 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine

3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine (PubChem CID 61269892) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
PubChem CID61269892
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
SMILESClCc1ccc(OCCc2ccccn2)nn1
InChIInChI=1S/C12H12ClN3O/c13-9-11-4-5-12(16-15-11)17-8-6-10-3-1-2-7-14-10/h1-5,7H,6,8-9H2
InChIKeyXFIFQMBCFOTYHJ-UHFFFAOYSA-N
XLogP2.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine
CID 61269894
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716
3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine
CID 66232513
3-(chloromethyl)-6-octoxypyridazine
CID 61269519
6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
CID 43128879
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80864949
2-pyridin-2-ylethyl cyanate
CID 21195134
[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80913517
2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine (CID 61269892) is 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine is ClCc1ccc(OCCc2ccccn2)nn1.
What is the InChIKey of 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine?
The InChIKey is XFIFQMBCFOTYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-11-4-5-12(16-15-11)17-8-6-10-3-1-2-7-14-10/h1-5,7H,6,8-9H2.
What are the key properties of 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine?
3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine has a molecular weight of 249.70 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine is sourced from PubChem (CID 61269892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).