4,5-difluoropyridine-2-carbonitrile

C6H2F2N2 — CID 118845170

IUPAC4,5-difluoropyridine-2-carbonitrile
SMILESN#Cc1cc(F)c(F)cn1
InChIInChI=1S/C6H2F2N2/c7-5-1-4(2-9)10-3-6(5)8/h1,3H
InChIKeyZTKJIPABINKPDZ-UHFFFAOYSA-N
MW140.09 g/mol
LogP1.23
Rot. Bonds

About 4,5-difluoropyridine-2-carbonitrile

4,5-difluoropyridine-2-carbonitrile (PubChem CID 118845170) has the molecular formula C6H2F2N2 and a molecular weight of 140.09 g/mol. Its IUPAC name is 4,5-difluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name4,5-difluoropyridine-2-carbonitrile
PubChem CID118845170
Molecular FormulaC6H2F2N2
Molecular Weight140.09 g/mol
Exact Mass140.02
IUPAC Name4,5-difluoropyridine-2-carbonitrile
SMILESN#Cc1cc(F)c(F)cn1
InChIInChI=1S/C6H2F2N2/c7-5-1-4(2-9)10-3-6(5)8/h1,3H
InChIKeyZTKJIPABINKPDZ-UHFFFAOYSA-N
XLogP1.23
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoropyridine-2-carbonitrile?
The IUPAC name of 4,5-difluoropyridine-2-carbonitrile (CID 118845170) is 4,5-difluoropyridine-2-carbonitrile.
What is the SMILES notation for 4,5-difluoropyridine-2-carbonitrile?
The canonical SMILES for 4,5-difluoropyridine-2-carbonitrile is N#Cc1cc(F)c(F)cn1.
What is the InChIKey of 4,5-difluoropyridine-2-carbonitrile?
The InChIKey is ZTKJIPABINKPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N2/c7-5-1-4(2-9)10-3-6(5)8/h1,3H.
What are the key properties of 4,5-difluoropyridine-2-carbonitrile?
4,5-difluoropyridine-2-carbonitrile has a molecular weight of 140.09 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoropyridine-2-carbonitrile is sourced from PubChem (CID 118845170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).