2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine

C8H11FN2 — CID 90228826

IUPAC2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine
SMILESFC1=CC=CNC1C1CNC1
InChIInChI=1S/C8H11FN2/c9-7-2-1-3-11-8(7)6-4-10-5-6/h1-3,6,8,10-11H,4-5H2
InChIKeyLBHHVOBTKOQZST-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.54
Rot. Bonds1

About 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine

2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine (PubChem CID 90228826) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine
PubChem CID90228826
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine
SMILESFC1=CC=CNC1C1CNC1
InChIInChI=1S/C8H11FN2/c9-7-2-1-3-11-8(7)6-4-10-5-6/h1-3,6,8,10-11H,4-5H2
InChIKeyLBHHVOBTKOQZST-UHFFFAOYSA-N
XLogP0.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine
CID 90228824
(2E,6E)-5,9-difluoro-4,5,7a,11a-tetrahydro-1H-1-benzazonine
CID 135193069
2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine
CID 154997179
(E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine
CID 118970152
(3Z,5E,7Z)-2,10-diazabicyclo[10.4.0]hexadeca-3,5,7,13,15-pentaene
CID 124140035
(3Z,5E)-2,10-diazabicyclo[10.4.0]hexadeca-3,5,13,15-tetraene
CID 124140415
3a,4-dihydro-1H-indol-4-amine
CID 130281332
(1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine
CID 156874634

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine?
The IUPAC name of 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine (CID 90228826) is 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine?
The canonical SMILES for 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine is FC1=CC=CNC1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine?
The InChIKey is LBHHVOBTKOQZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c9-7-2-1-3-11-8(7)6-4-10-5-6/h1-3,6,8,10-11H,4-5H2.
What are the key properties of 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine?
2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine has a molecular weight of 154.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-3-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 90228826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).