3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine

C13H13ClN2O2 — CID 61268789

IUPAC3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine
SMILESCCOc1ccc(Oc2ccc(CCl)nn2)cc1
InChIInChI=1S/C13H13ClN2O2/c1-2-17-11-4-6-12(7-5-11)18-13-8-3-10(9-14)15-16-13/h3-8H,2,9H2,1H3
InChIKeyWNCPDFHYGYHOSJ-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.41
Rot. Bonds5

About 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine

3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine (PubChem CID 61268789) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine
PubChem CID61268789
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine
SMILESCCOc1ccc(Oc2ccc(CCl)nn2)cc1
InChIInChI=1S/C13H13ClN2O2/c1-2-17-11-4-6-12(7-5-11)18-13-8-3-10(9-14)15-16-13/h3-8H,2,9H2,1H3
InChIKeyWNCPDFHYGYHOSJ-UHFFFAOYSA-N
XLogP3.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.41
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-(chloromethyl)-6-(4-iodophenoxy)pyridazine
CID 61269176
3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine
CID 61269159
3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine
CID 61268607
5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
3-(chloromethyl)-6-(3-ethylphenoxy)pyridazine
CID 61270085
3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
CID 61267321
3-(chloromethyl)-6-[(5-chloro-3-pyridinyl)oxy]pyridazine
CID 64601011
3-(chloromethyl)-6-pyridin-3-yloxypyridazine
CID 61268782
3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine
CID 63877810
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
3-(chloromethyl)-6-octoxypyridazine
CID 61269519

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine (CID 61268789) is 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine is CCOc1ccc(Oc2ccc(CCl)nn2)cc1.
What is the InChIKey of 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine?
The InChIKey is WNCPDFHYGYHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-17-11-4-6-12(7-5-11)18-13-8-3-10(9-14)15-16-13/h3-8H,2,9H2,1H3.
What are the key properties of 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine?
3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine has a molecular weight of 264.71 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine is sourced from PubChem (CID 61268789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).