4-pyridin-4-ylpyridine;bis(trifluoroborane)

C10H8B2F6N2 — CID 14319291

IUPAC4-pyridin-4-ylpyridine;bis(trifluoroborane)
SMILESFB(F)F.FB(F)F.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2BF3/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3)4/h1-8H;;
InChIKeyOTZZNSPROXEHDE-UHFFFAOYSA-N
MW291.80 g/mol
LogP3.90
Rot. Bonds1

About 4-pyridin-4-ylpyridine;bis(trifluoroborane)

4-pyridin-4-ylpyridine;bis(trifluoroborane) (PubChem CID 14319291) has the molecular formula C10H8B2F6N2 and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-pyridin-4-ylpyridine;bis(trifluoroborane).

Molecular Properties

Compound Name4-pyridin-4-ylpyridine;bis(trifluoroborane)
PubChem CID14319291
Molecular FormulaC10H8B2F6N2
Molecular Weight291.80 g/mol
Exact Mass292.08
IUPAC Name4-pyridin-4-ylpyridine;bis(trifluoroborane)
SMILESFB(F)F.FB(F)F.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2BF3/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3)4/h1-8H;;
InChIKeyOTZZNSPROXEHDE-UHFFFAOYSA-N
XLogP3.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylpyridine;bis(trifluoroborane)?
The IUPAC name of 4-pyridin-4-ylpyridine;bis(trifluoroborane) (CID 14319291) is 4-pyridin-4-ylpyridine;bis(trifluoroborane).
What is the SMILES notation for 4-pyridin-4-ylpyridine;bis(trifluoroborane)?
The canonical SMILES for 4-pyridin-4-ylpyridine;bis(trifluoroborane) is FB(F)F.FB(F)F.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-pyridin-4-ylpyridine;bis(trifluoroborane)?
The InChIKey is OTZZNSPROXEHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2BF3/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3)4/h1-8H;;.
What are the key properties of 4-pyridin-4-ylpyridine;bis(trifluoroborane)?
4-pyridin-4-ylpyridine;bis(trifluoroborane) has a molecular weight of 291.80 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylpyridine;bis(trifluoroborane) is sourced from PubChem (CID 14319291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).