methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate

C18H18F2N2O4 — CID 167197537

IUPACmethyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate
SMILESCOC(=O)c1c(Oc2ccc(C)cc2OC)nnc(C2CC2(F)F)c1C
InChIInChI=1S/C18H18F2N2O4/c1-9-5-6-12(13(7-9)24-3)26-16-14(17(23)25-4)10(2)15(21-22-16)11-8-18(11,19)20/h5-7,11H,8H2,1-4H3
InChIKeyHSRJUWXNYHUPKG-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.80
Rot. Bonds5

About methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate

methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate (PubChem CID 167197537) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate
PubChem CID167197537
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Namemethyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate
SMILESCOC(=O)c1c(Oc2ccc(C)cc2OC)nnc(C2CC2(F)F)c1C
InChIInChI=1S/C18H18F2N2O4/c1-9-5-6-12(13(7-9)24-3)26-16-14(17(23)25-4)10(2)15(21-22-16)11-8-18(11,19)20/h5-7,11H,8H2,1-4H3
InChIKeyHSRJUWXNYHUPKG-UHFFFAOYSA-N
XLogP3.80
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate?
The IUPAC name of methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate (CID 167197537) is methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate?
The canonical SMILES for methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate is COC(=O)c1c(Oc2ccc(C)cc2OC)nnc(C2CC2(F)F)c1C.
What is the InChIKey of methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate?
The InChIKey is HSRJUWXNYHUPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-9-5-6-12(13(7-9)24-3)26-16-14(17(23)25-4)10(2)15(21-22-16)11-8-18(11,19)20/h5-7,11H,8H2,1-4H3.
What are the key properties of methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate?
methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate has a molecular weight of 364.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,2-difluorocyclopropyl)-3-(2-methoxy-4-methylphenoxy)-5-methylpyridazine-4-carboxylate is sourced from PubChem (CID 167197537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).