3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine

C13H13ClN2O2 — CID 113421381

IUPAC3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine
SMILESCOc1cc(C)ccc1OCc1ccc(Cl)nn1
InChIInChI=1S/C13H13ClN2O2/c1-9-3-5-11(12(7-9)17-2)18-8-10-4-6-13(14)16-15-10/h3-7H,8H2,1-2H3
InChIKeyMUEARZWJRZCISG-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.03
Rot. Bonds4

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

3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine (PubChem CID 113421381) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine
PubChem CID113421381
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine
SMILESCOc1cc(C)ccc1OCc1ccc(Cl)nn1
InChIInChI=1S/C13H13ClN2O2/c1-9-3-5-11(12(7-9)17-2)18-8-10-4-6-13(14)16-15-10/h3-7H,8H2,1-2H3
InChIKeyMUEARZWJRZCISG-UHFFFAOYSA-N
XLogP3.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[(4-methyl-2-nitrophenoxy)methyl]pyridazine
CID 104514208
5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
CID 113455729
2-(3-chloropropyl)-5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39416021
3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
3-chloro-6-[(2-methyl-4-nitrophenoxy)methyl]pyridazine
CID 104514293
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
CID 104514161
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole
CID 9354227

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine (CID 113421381) is 3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine is COc1cc(C)ccc1OCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine?
The InChIKey is MUEARZWJRZCISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-3-5-11(12(7-9)17-2)18-8-10-4-6-13(14)16-15-10/h3-7H,8H2,1-2H3.
What are the key properties of 3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine?
3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine has a molecular weight of 264.71 g/mol, XLogP of 3.03, 4 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)methyl]pyridazine is sourced from PubChem (CID 113421381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).