3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine

C16H19ClN2O — CID 61269159

IUPAC3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine
SMILESCCC(C)(C)c1ccc(Oc2ccc(CCl)nn2)cc1
InChIInChI=1S/C16H19ClN2O/c1-4-16(2,3)12-5-8-14(9-6-12)20-15-10-7-13(11-17)18-19-15/h5-10H,4,11H2,1-3H3
InChIKeyQXYVLENFGBOXCA-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.70
Rot. Bonds5

About 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine

3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine (PubChem CID 61269159) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine
PubChem CID61269159
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine
SMILESCCC(C)(C)c1ccc(Oc2ccc(CCl)nn2)cc1
InChIInChI=1S/C16H19ClN2O/c1-4-16(2,3)12-5-8-14(9-6-12)20-15-10-7-13(11-17)18-19-15/h5-10H,4,11H2,1-3H3
InChIKeyQXYVLENFGBOXCA-UHFFFAOYSA-N
XLogP4.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine?
The IUPAC name of 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine (CID 61269159) is 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine is CCC(C)(C)c1ccc(Oc2ccc(CCl)nn2)cc1.
What is the InChIKey of 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine?
The InChIKey is QXYVLENFGBOXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-16(2,3)12-5-8-14(9-6-12)20-15-10-7-13(11-17)18-19-15/h5-10H,4,11H2,1-3H3.
What are the key properties of 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine?
3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine has a molecular weight of 290.79 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine is sourced from PubChem (CID 61269159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).