2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile

C13H5F2N3 — CID 146594407

IUPAC2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(F)nc(F)c(C#N)c1-c1ccccc1
InChIInChI=1S/C13H5F2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H
InChIKeyYPNXLBXQVKRNEB-UHFFFAOYSA-N
MW241.20 g/mol
LogP2.77
Rot. Bonds1

About 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile

2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 146594407) has the molecular formula C13H5F2N3 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID146594407
Molecular FormulaC13H5F2N3
Molecular Weight241.20 g/mol
Exact Mass241.05
IUPAC Name2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(F)nc(F)c(C#N)c1-c1ccccc1
InChIInChI=1S/C13H5F2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H
InChIKeyYPNXLBXQVKRNEB-UHFFFAOYSA-N
XLogP2.77
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile (CID 146594407) is 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(F)nc(F)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is YPNXLBXQVKRNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H.
What are the key properties of 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile?
2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 241.20 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 146594407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).