3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine

C10H13F2N3O — CID 163238317

IUPAC3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine
SMILESCOc1ccc(C2CNCCC2(F)F)nn1
InChIInChI=1S/C10H13F2N3O/c1-16-9-3-2-8(14-15-9)7-6-13-5-4-10(7,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeyRVGVKCHINPHOGR-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.20
Rot. Bonds2

About 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine

3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine (PubChem CID 163238317) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine
PubChem CID163238317
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine
SMILESCOc1ccc(C2CNCCC2(F)F)nn1
InChIInChI=1S/C10H13F2N3O/c1-16-9-3-2-8(14-15-9)7-6-13-5-4-10(7,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeyRVGVKCHINPHOGR-UHFFFAOYSA-N
XLogP1.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine?
The IUPAC name of 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine (CID 163238317) is 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine.
What is the SMILES notation for 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine?
The canonical SMILES for 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine is COc1ccc(C2CNCCC2(F)F)nn1.
What is the InChIKey of 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine?
The InChIKey is RVGVKCHINPHOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-16-9-3-2-8(14-15-9)7-6-13-5-4-10(7,11)12/h2-3,7,13H,4-6H2,1H3.
What are the key properties of 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine?
3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine has a molecular weight of 229.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-3-yl)-6-methoxypyridazine is sourced from PubChem (CID 163238317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).