3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine

C12H11ClN2O2 — CID 22425512

IUPAC3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine
SMILESCOc1cc(C)ccc1Oc1ccc(Cl)nn1
InChIInChI=1S/C12H11ClN2O2/c1-8-3-4-9(10(7-8)16-2)17-12-6-5-11(13)14-15-12/h3-7H,1-2H3
InChIKeyOREQCGBXDWLAJC-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.24
Rot. Bonds3

About 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine

3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine (PubChem CID 22425512) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine
PubChem CID22425512
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine
SMILESCOc1cc(C)ccc1Oc1ccc(Cl)nn1
InChIInChI=1S/C12H11ClN2O2/c1-8-3-4-9(10(7-8)16-2)17-12-6-5-11(13)14-15-12/h3-7H,1-2H3
InChIKeyOREQCGBXDWLAJC-UHFFFAOYSA-N
XLogP3.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine?
The IUPAC name of 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine (CID 22425512) is 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine?
The canonical SMILES for 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine is COc1cc(C)ccc1Oc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine?
The InChIKey is OREQCGBXDWLAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-3-4-9(10(7-8)16-2)17-12-6-5-11(13)14-15-12/h3-7H,1-2H3.
What are the key properties of 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine?
3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine has a molecular weight of 250.69 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methoxy-4-methylphenoxy)pyridazine is sourced from PubChem (CID 22425512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).