5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane

C14H20F2N2 — CID 171542363

IUPAC5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane
SMILESC=Cc1cc(C)c(CN2CC(F)(F)C2)cn1.CC
InChIInChI=1S/C12H14F2N2.C2H6/c1-3-11-4-9(2)10(5-15-11)6-16-7-12(13,14)8-16;1-2/h3-5H,1,6-8H2,2H3;1-2H3
InChIKeyHWFWKBIHXYNDNW-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.51
Rot. Bonds3

About 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane

5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane (PubChem CID 171542363) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane.

Molecular Properties

Compound Name5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane
PubChem CID171542363
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane
SMILESC=Cc1cc(C)c(CN2CC(F)(F)C2)cn1.CC
InChIInChI=1S/C12H14F2N2.C2H6/c1-3-11-4-9(2)10(5-15-11)6-16-7-12(13,14)8-16;1-2/h3-5H,1,6-8H2,2H3;1-2H3
InChIKeyHWFWKBIHXYNDNW-UHFFFAOYSA-N
XLogP3.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane?
The IUPAC name of 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane (CID 171542363) is 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane.
What is the SMILES notation for 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane?
The canonical SMILES for 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane is C=Cc1cc(C)c(CN2CC(F)(F)C2)cn1.CC.
What is the InChIKey of 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane?
The InChIKey is HWFWKBIHXYNDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2.C2H6/c1-3-11-4-9(2)10(5-15-11)6-16-7-12(13,14)8-16;1-2/h3-5H,1,6-8H2,2H3;1-2H3.
What are the key properties of 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane?
5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane has a molecular weight of 254.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane is sourced from PubChem (CID 171542363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).