3-(difluoromethoxy)-6-methylpyridazine

C6H6F2N2O — CID 118919679

IUPAC3-(difluoromethoxy)-6-methylpyridazine
SMILESCc1ccc(OC(F)F)nn1
InChIInChI=1S/C6H6F2N2O/c1-4-2-3-5(10-9-4)11-6(7)8/h2-3,6H,1H3
InChIKeyKINWONFUSOEMJK-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.39
Rot. Bonds2

About 3-(difluoromethoxy)-6-methylpyridazine

3-(difluoromethoxy)-6-methylpyridazine (PubChem CID 118919679) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-methylpyridazine.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-methylpyridazine
PubChem CID118919679
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3-(difluoromethoxy)-6-methylpyridazine
SMILESCc1ccc(OC(F)F)nn1
InChIInChI=1S/C6H6F2N2O/c1-4-2-3-5(10-9-4)11-6(7)8/h2-3,6H,1H3
InChIKeyKINWONFUSOEMJK-UHFFFAOYSA-N
XLogP1.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-6-methyl-1,6-dihydropyridazine 1-oxide
CID 494021
(6-Methoxypyridazin-3-yl)methanol
CID 13227305
3-(Chloromethyl)-6-methoxypyridazine
CID 23239696
(6-(2,2,2-Trifluoroethoxy)pyridazin-3-yl)methanol
CID 61256334
(6-Methoxypyridazin-3-yl)methanamine
CID 62292461
3-Ethynyl-6-methoxypyridazine
CID 99978963
6-Methoxy-3,4-dimethylpyridazine
CID 130784986
6-Methylpyridazin-3-ol trifluoromethanesulfonate
CID 11806794
3-Methoxy-6-methylpyridazine
CID 303677
3-(Chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine
CID 61257870
((6-Methoxypyridazin-3-yl)methyl)(methyl)amine
CID 62292086
4-Bromo-3-methoxy-6-methylpyridazine
CID 83680576

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-methylpyridazine?
The IUPAC name of 3-(difluoromethoxy)-6-methylpyridazine (CID 118919679) is 3-(difluoromethoxy)-6-methylpyridazine.
What is the SMILES notation for 3-(difluoromethoxy)-6-methylpyridazine?
The canonical SMILES for 3-(difluoromethoxy)-6-methylpyridazine is Cc1ccc(OC(F)F)nn1.
What is the InChIKey of 3-(difluoromethoxy)-6-methylpyridazine?
The InChIKey is KINWONFUSOEMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-4-2-3-5(10-9-4)11-6(7)8/h2-3,6H,1H3.
What are the key properties of 3-(difluoromethoxy)-6-methylpyridazine?
3-(difluoromethoxy)-6-methylpyridazine has a molecular weight of 160.12 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-methylpyridazine is sourced from PubChem (CID 118919679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).