3-(2,6-dimethoxyphenyl)-6-methoxypyridazine

C13H14N2O3 — CID 58838909

IUPAC3-(2,6-dimethoxyphenyl)-6-methoxypyridazine
SMILESCOc1ccc(-c2c(OC)cccc2OC)nn1
InChIInChI=1S/C13H14N2O3/c1-16-10-5-4-6-11(17-2)13(10)9-7-8-12(18-3)15-14-9/h4-8H,1-3H3
InChIKeyPCTWSBBSFBMJHV-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.17
Rot. Bonds4

About 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine

3-(2,6-dimethoxyphenyl)-6-methoxypyridazine (PubChem CID 58838909) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-6-methoxypyridazine
PubChem CID58838909
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(2,6-dimethoxyphenyl)-6-methoxypyridazine
SMILESCOc1ccc(-c2c(OC)cccc2OC)nn1
InChIInChI=1S/C13H14N2O3/c1-16-10-5-4-6-11(17-2)13(10)9-7-8-12(18-3)15-14-9/h4-8H,1-3H3
InChIKeyPCTWSBBSFBMJHV-UHFFFAOYSA-N
XLogP2.17
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine (CID 58838909) is 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine is COc1ccc(-c2c(OC)cccc2OC)nn1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine?
The InChIKey is PCTWSBBSFBMJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-16-10-5-4-6-11(17-2)13(10)9-7-8-12(18-3)15-14-9/h4-8H,1-3H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine?
3-(2,6-dimethoxyphenyl)-6-methoxypyridazine has a molecular weight of 246.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-6-methoxypyridazine is sourced from PubChem (CID 58838909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).