2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine

C15H13F2N3 — CID 170299133

IUPAC2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine
SMILESC=Cc1ccc(-c2cccnc2N2CC(F)(F)C2)cn1
InChIInChI=1S/C15H13F2N3/c1-2-12-6-5-11(8-19-12)13-4-3-7-18-14(13)20-9-15(16,17)10-20/h2-8H,1,9-10H2
InChIKeyZXPAASPSNAMFNZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.24
Rot. Bonds3

About 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine

2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine (PubChem CID 170299133) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine
PubChem CID170299133
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine
SMILESC=Cc1ccc(-c2cccnc2N2CC(F)(F)C2)cn1
InChIInChI=1S/C15H13F2N3/c1-2-12-6-5-11(8-19-12)13-4-3-7-18-14(13)20-9-15(16,17)10-20/h2-8H,1,9-10H2
InChIKeyZXPAASPSNAMFNZ-UHFFFAOYSA-N
XLogP3.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]pyridine
CID 163265991
2-(3,3-difluoroazetidin-1-yl)-3-methoxypyridine
CID 175648008
6,6-difluoro-3,5-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-1,2-benzothiazole;3-(6-ethenyl-3-pyridinyl)pyridine-2-carbonitrile
CID 145064483
2-ethenyl-5-(2-fluoro-5-methylphenyl)pyridine
CID 118637902
5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane
CID 171542363
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
2-(3-hydroxy-3-methylazetidin-1-yl)pyridine-3-carbaldehyde
CID 131162220
2-ethenylpyridine;rhodium
CID 174919762
2-ethenylpyridine;hexahydroiodide
CID 70487032
2-ethenylpyridine;hydrate
CID 67843107
(1S,3R,4S)-5-fluoro-3-[(E)-2-[5-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethenyl]-4-methyl-6-methylidene-2-[(1R)-1-(phosphanylamino)ethyl]bicyclo[3.2.1]octan-1-ol
CID 121290937
2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
CID 141352093

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine (CID 170299133) is 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine is C=Cc1ccc(-c2cccnc2N2CC(F)(F)C2)cn1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine?
The InChIKey is ZXPAASPSNAMFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c1-2-12-6-5-11(8-19-12)13-4-3-7-18-14(13)20-9-15(16,17)10-20/h2-8H,1,9-10H2.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine?
2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine has a molecular weight of 273.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-3-(6-ethenyl-3-pyridinyl)pyridine is sourced from PubChem (CID 170299133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).