3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine

C14H15ClN2O — CID 61269742

IUPAC3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine
SMILESCc1ccc(C)c(Oc2ccc(CCl)nn2)c1C
InChIInChI=1S/C14H15ClN2O/c1-9-4-5-10(2)14(11(9)3)18-13-7-6-12(8-15)16-17-13/h4-7H,8H2,1-3H3
InChIKeySLAZKAUBNFUDSC-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.93
Rot. Bonds3

About 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine

3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine (PubChem CID 61269742) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine
PubChem CID61269742
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine
SMILESCc1ccc(C)c(Oc2ccc(CCl)nn2)c1C
InChIInChI=1S/C14H15ClN2O/c1-9-4-5-10(2)14(11(9)3)18-13-7-6-12(8-15)16-17-13/h4-7H,8H2,1-3H3
InChIKeySLAZKAUBNFUDSC-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.93
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-(2,3,6-trimethylphenoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine (CID 61269742) is 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine is Cc1ccc(C)c(Oc2ccc(CCl)nn2)c1C.
What is the InChIKey of 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine?
The InChIKey is SLAZKAUBNFUDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-4-5-10(2)14(11(9)3)18-13-7-6-12(8-15)16-17-13/h4-7H,8H2,1-3H3.
What are the key properties of 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine?
3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine has a molecular weight of 262.74 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine is sourced from PubChem (CID 61269742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).