3-fluoro-2,5-dihydropyridine

C5H6FN — CID 178037828

IUPAC3-fluoro-2,5-dihydropyridine
SMILESFC1=CCC=NC1
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h2-3H,1,4H2
InChIKeyOSEWFXAROYCYDY-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.31
Rot. Bonds

About 3-fluoro-2,5-dihydropyridine

3-fluoro-2,5-dihydropyridine (PubChem CID 178037828) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 3-fluoro-2,5-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-2,5-dihydropyridine
PubChem CID178037828
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name3-fluoro-2,5-dihydropyridine
SMILESFC1=CCC=NC1
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h2-3H,1,4H2
InChIKeyOSEWFXAROYCYDY-UHFFFAOYSA-N
XLogP1.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dihydropyridine
CID 15738596
2-Fluoro-2,3-dihydropyridine
CID 54085820
5-fluoro-3H-pyridin-1-ium
CID 57109378
4-fluoro-3H-pyridin-1-ium
CID 57288424
3-Fluoro-2,3-dihydropyridine
CID 68024004
5-Fluoro-2,3-dihydropyridine
CID 90926903
4-(Trifluoromethyl)-2,5-dihydropyridine
CID 91046941
(2S)-2-fluoro-2,5-dihydropyridine
CID 91143792
(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine
CID 91526473
(2S)-2-(trifluoromethyl)-2,5-dihydropyridine
CID 91580648
3-fluoro-N-methyl-2H-pyridin-5-imine
CID 123433010
2,5-Difluoro-2,3-dihydropyridine
CID 167066134

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5-dihydropyridine?
The IUPAC name of 3-fluoro-2,5-dihydropyridine (CID 178037828) is 3-fluoro-2,5-dihydropyridine.
What is the SMILES notation for 3-fluoro-2,5-dihydropyridine?
The canonical SMILES for 3-fluoro-2,5-dihydropyridine is FC1=CCC=NC1.
What is the InChIKey of 3-fluoro-2,5-dihydropyridine?
The InChIKey is OSEWFXAROYCYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h2-3H,1,4H2.
What are the key properties of 3-fluoro-2,5-dihydropyridine?
3-fluoro-2,5-dihydropyridine has a molecular weight of 99.11 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dihydropyridine is sourced from PubChem (CID 178037828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).