3,5-difluoro-2H-pyridine-3-carbonitrile

C6H4F2N2 — CID 68878519

IUPAC3,5-difluoro-2H-pyridine-3-carbonitrile
SMILESN#CC1(F)C=C(F)C=NC1
InChIInChI=1S/C6H4F2N2/c7-5-1-6(8,3-9)4-10-2-5/h1-2H,4H2
InChIKeyKIXMGYATSCCGOL-UHFFFAOYSA-N
MW142.11 g/mol
LogP1.16
Rot. Bonds

About 3,5-difluoro-2H-pyridine-3-carbonitrile

3,5-difluoro-2H-pyridine-3-carbonitrile (PubChem CID 68878519) has the molecular formula C6H4F2N2 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3,5-difluoro-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name3,5-difluoro-2H-pyridine-3-carbonitrile
PubChem CID68878519
Molecular FormulaC6H4F2N2
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name3,5-difluoro-2H-pyridine-3-carbonitrile
SMILESN#CC1(F)C=C(F)C=NC1
InChIInChI=1S/C6H4F2N2/c7-5-1-6(8,3-9)4-10-2-5/h1-2H,4H2
InChIKeyKIXMGYATSCCGOL-UHFFFAOYSA-N
XLogP1.16
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2H-pyridine-3-carbonitrile?
The IUPAC name of 3,5-difluoro-2H-pyridine-3-carbonitrile (CID 68878519) is 3,5-difluoro-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 3,5-difluoro-2H-pyridine-3-carbonitrile?
The canonical SMILES for 3,5-difluoro-2H-pyridine-3-carbonitrile is N#CC1(F)C=C(F)C=NC1.
What is the InChIKey of 3,5-difluoro-2H-pyridine-3-carbonitrile?
The InChIKey is KIXMGYATSCCGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2/c7-5-1-6(8,3-9)4-10-2-5/h1-2H,4H2.
What are the key properties of 3,5-difluoro-2H-pyridine-3-carbonitrile?
3,5-difluoro-2H-pyridine-3-carbonitrile has a molecular weight of 142.11 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 68878519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).