3,5-difluoro-1,2-dihydropyridine

C5H5F2N — CID 23296065

IUPAC3,5-difluoro-1,2-dihydropyridine
SMILESFC1=CNCC(F)=C1
InChIInChI=1S/C5H5F2N/c6-4-1-5(7)3-8-2-4/h1-2,8H,3H2
InChIKeyPKWZNPMPUKJJMH-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.25
Rot. Bonds

About 3,5-difluoro-1,2-dihydropyridine

3,5-difluoro-1,2-dihydropyridine (PubChem CID 23296065) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 3,5-difluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name3,5-difluoro-1,2-dihydropyridine
PubChem CID23296065
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name3,5-difluoro-1,2-dihydropyridine
SMILESFC1=CNCC(F)=C1
InChIInChI=1S/C5H5F2N/c6-4-1-5(7)3-8-2-4/h1-2,8H,3H2
InChIKeyPKWZNPMPUKJJMH-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-Difluoro-1,2-dihydropyridine-2,6-diamine
CID 18367509
3,5,6-Trifluoro-1,2-dihydropyridin-2-amine
CID 18367513
2,3,5,6-Tetrafluoro-1,2-dihydropyridine
CID 18367515
4-Fluoro-1,2-dihydropyridine
CID 18523056
2,3-Difluoro-1,2-dihydropyridine
CID 18619801
2,4-Difluoro-1,2-dihydropyridine
CID 18619816
2-Fluoro-1,2-dihydropyridine
CID 18619817
2,6-Difluoro-1,2-dihydropyridine
CID 18619825
2,5-Difluoro-1,2-dihydropyridine
CID 18619827
5-Fluoro-1,2-dihydropyridine
CID 19045900
3-Fluoro-1,2-dihydropyridine
CID 19045917
6-Fluoro-1,2-dihydropyridine
CID 21892438

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1,2-dihydropyridine?
The IUPAC name of 3,5-difluoro-1,2-dihydropyridine (CID 23296065) is 3,5-difluoro-1,2-dihydropyridine.
What is the SMILES notation for 3,5-difluoro-1,2-dihydropyridine?
The canonical SMILES for 3,5-difluoro-1,2-dihydropyridine is FC1=CNCC(F)=C1.
What is the InChIKey of 3,5-difluoro-1,2-dihydropyridine?
The InChIKey is PKWZNPMPUKJJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-4-1-5(7)3-8-2-4/h1-2,8H,3H2.
What are the key properties of 3,5-difluoro-1,2-dihydropyridine?
3,5-difluoro-1,2-dihydropyridine has a molecular weight of 117.10 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1,2-dihydropyridine is sourced from PubChem (CID 23296065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).