2,5-difluoro-1,2-dihydropyridine

C5H5F2N — CID 18619827

IUPAC2,5-difluoro-1,2-dihydropyridine
SMILESFC1=CNC(F)C=C1
InChIInChI=1S/C5H5F2N/c6-4-1-2-5(7)8-3-4/h1-3,5,8H
InChIKeyPUHDGMHHODYMBH-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.25
Rot. Bonds

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

2,5-difluoro-1,2-dihydropyridine (PubChem CID 18619827) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 2,5-difluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2,5-difluoro-1,2-dihydropyridine
PubChem CID18619827
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2,5-difluoro-1,2-dihydropyridine
SMILESFC1=CNC(F)C=C1
InChIInChI=1S/C5H5F2N/c6-4-1-2-5(7)8-3-4/h1-3,5,8H
InChIKeyPUHDGMHHODYMBH-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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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-1,2-dihydropyridine?
The IUPAC name of 2,5-difluoro-1,2-dihydropyridine (CID 18619827) is 2,5-difluoro-1,2-dihydropyridine.
What is the SMILES notation for 2,5-difluoro-1,2-dihydropyridine?
The canonical SMILES for 2,5-difluoro-1,2-dihydropyridine is FC1=CNC(F)C=C1.
What is the InChIKey of 2,5-difluoro-1,2-dihydropyridine?
The InChIKey is PUHDGMHHODYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-4-1-2-5(7)8-3-4/h1-3,5,8H.
What are the key properties of 2,5-difluoro-1,2-dihydropyridine?
2,5-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 2,5-difluoro-1,2-dihydropyridine is sourced from PubChem (CID 18619827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).