2,3-difluoro-1,2-dihydropyridine

C5H5F2N — CID 18619801

IUPAC2,3-difluoro-1,2-dihydropyridine
SMILESFC1=CC=CNC1F
InChIInChI=1S/C5H5F2N/c6-4-2-1-3-8-5(4)7/h1-3,5,8H
InChIKeySPFLVGKCINSPOW-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.25
Rot. Bonds

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

2,3-difluoro-1,2-dihydropyridine (PubChem CID 18619801) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 2,3-difluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2,3-difluoro-1,2-dihydropyridine
PubChem CID18619801
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2,3-difluoro-1,2-dihydropyridine
SMILESFC1=CC=CNC1F
InChIInChI=1S/C5H5F2N/c6-4-2-1-3-8-5(4)7/h1-3,5,8H
InChIKeySPFLVGKCINSPOW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Dihydropyridines
CID 407038
1,2-Dihydropyridin-1-ium
CID 21954005
2-Fluoro-2-chloropyridine
CID 67167547
3-(Trifluoromethyl)-1,2-dihydropyridine
CID 18330446
2,3,5,6-Tetrafluoro-1,2-dihydropyridine
CID 18367515
4-(Trifluoromethyl)-1,2-dihydropyridine
CID 18367699
4-Fluoro-1,2-dihydropyridine
CID 18523056
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
6-(Trifluoromethyl)-1,2-dihydropyridine
CID 19045892

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,2-dihydropyridine?
The IUPAC name of 2,3-difluoro-1,2-dihydropyridine (CID 18619801) is 2,3-difluoro-1,2-dihydropyridine.
What is the SMILES notation for 2,3-difluoro-1,2-dihydropyridine?
The canonical SMILES for 2,3-difluoro-1,2-dihydropyridine is FC1=CC=CNC1F.
What is the InChIKey of 2,3-difluoro-1,2-dihydropyridine?
The InChIKey is SPFLVGKCINSPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-4-2-1-3-8-5(4)7/h1-3,5,8H.
What are the key properties of 2,3-difluoro-1,2-dihydropyridine?
2,3-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 2,3-difluoro-1,2-dihydropyridine is sourced from PubChem (CID 18619801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).