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

C13H13ClN2O — CID 6400993

IUPAC3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine
SMILESCc1ccc(C)c(Oc2ccc(Cl)nn2)c1C
InChIInChI=1S/C13H13ClN2O/c1-8-4-5-9(2)13(10(8)3)17-12-7-6-11(14)15-16-12/h4-7H,1-3H3
InChIKeyYFGBHFIHTMZPLZ-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.85
Rot. Bonds2

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

3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine (PubChem CID 6400993) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine
PubChem CID6400993
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine
SMILESCc1ccc(C)c(Oc2ccc(Cl)nn2)c1C
InChIInChI=1S/C13H13ClN2O/c1-8-4-5-9(2)13(10(8)3)17-12-7-6-11(14)15-16-12/h4-7H,1-3H3
InChIKeyYFGBHFIHTMZPLZ-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine?
The IUPAC name of 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine (CID 6400993) is 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine.
What is the SMILES notation for 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine?
The canonical SMILES for 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine is Cc1ccc(C)c(Oc2ccc(Cl)nn2)c1C.
What is the InChIKey of 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine?
The InChIKey is YFGBHFIHTMZPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-4-5-9(2)13(10(8)3)17-12-7-6-11(14)15-16-12/h4-7H,1-3H3.
What are the key properties of 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine?
3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine has a molecular weight of 248.71 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,3,6-trimethylphenoxy)pyridazine is sourced from PubChem (CID 6400993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).