2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate

C14H12F12N4P2 — CID 139245997

IUPAC2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc(-c2[nH+]cc[nH+]c2-c2ccccn2)nc1
InChIInChI=1S/C14H10N4.2F6P/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12;2*1-7(2,3,4,5)6/h1-10H;;/q;2*-1/p+2
InChIKeyVRMUQSOIBWTZBZ-UHFFFAOYSA-P
MW526.20 g/mol
LogP8.20
Rot. Bonds2

About 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate

2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate (PubChem CID 139245997) has the molecular formula C14H12F12N4P2 and a molecular weight of 526.20 g/mol. Its IUPAC name is 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate.

Molecular Properties

Compound Name2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate
PubChem CID139245997
Molecular FormulaC14H12F12N4P2
Molecular Weight526.20 g/mol
Exact Mass526.03
IUPAC Name2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc(-c2[nH+]cc[nH+]c2-c2ccccn2)nc1
InChIInChI=1S/C14H10N4.2F6P/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12;2*1-7(2,3,4,5)6/h1-10H;;/q;2*-1/p+2
InChIKeyVRMUQSOIBWTZBZ-UHFFFAOYSA-P
XLogP8.20
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.20
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
CID 156597290
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
CID 139261288
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate?
The IUPAC name of 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate (CID 139245997) is 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate.
What is the SMILES notation for 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate?
The canonical SMILES for 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc(-c2[nH+]cc[nH+]c2-c2ccccn2)nc1.
What is the InChIKey of 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate?
The InChIKey is VRMUQSOIBWTZBZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H10N4.2F6P/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12;2*1-7(2,3,4,5)6/h1-10H;;/q;2*-1/p+2.
What are the key properties of 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate?
2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate has a molecular weight of 526.20 g/mol, XLogP of 8.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate is sourced from PubChem (CID 139245997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).