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

C17H13ClN2O — CID 61268607

IUPAC3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine
SMILESClCc1ccc(Oc2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C17H13ClN2O/c18-12-15-8-11-17(20-19-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyRNJKLVLBQDDBEN-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.67
Rot. Bonds4

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

3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine (PubChem CID 61268607) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine
PubChem CID61268607
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine
SMILESClCc1ccc(Oc2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C17H13ClN2O/c18-12-15-8-11-17(20-19-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyRNJKLVLBQDDBEN-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.67
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-phenylphenoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine (CID 61268607) is 3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine is ClCc1ccc(Oc2ccc(-c3ccccc3)cc2)nn1.
What is the InChIKey of 3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine?
The InChIKey is RNJKLVLBQDDBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-12-15-8-11-17(20-19-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine?
3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine has a molecular weight of 296.76 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine is sourced from PubChem (CID 61268607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).