1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate

C14H11F6N2P — CID 11975219

IUPAC1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.c1ccc(-c2ccc[n+]3ccccc23)nc1
InChIInChI=1S/C14H11N2.F6P/c1-3-9-15-13(7-1)12-6-5-11-16-10-4-2-8-14(12)16;1-7(2,3,4,5)6/h1-11H;/q+1;-1
InChIKeyPYSCESVVCNSNOF-UHFFFAOYSA-N
MW352.22 g/mol
LogP5.87
Rot. Bonds1

About 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate

1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate (PubChem CID 11975219) has the molecular formula C14H11F6N2P and a molecular weight of 352.22 g/mol. Its IUPAC name is 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate.

Molecular Properties

Compound Name1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate
PubChem CID11975219
Molecular FormulaC14H11F6N2P
Molecular Weight352.22 g/mol
Exact Mass352.06
IUPAC Name1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.c1ccc(-c2ccc[n+]3ccccc23)nc1
InChIInChI=1S/C14H11N2.F6P/c1-3-9-15-13(7-1)12-6-5-11-16-10-4-2-8-14(12)16;1-7(2,3,4,5)6/h1-11H;/q+1;-1
InChIKeyPYSCESVVCNSNOF-UHFFFAOYSA-N
XLogP5.87
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.22
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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
2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
CID 139261288
2-(2-methylphenyl)pyridine
CID 144596153
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
2-pyridin-2-ylphenol;hydrate
CID 175244966
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
2,3-dipyridin-2-ylpyrazine-1,4-diium dihexafluorophosphate
CID 139245997
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate?
The IUPAC name of 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate (CID 11975219) is 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate.
What is the SMILES notation for 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate?
The canonical SMILES for 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate is F[P-](F)(F)(F)(F)F.c1ccc(-c2ccc[n+]3ccccc23)nc1.
What is the InChIKey of 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate?
The InChIKey is PYSCESVVCNSNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2.F6P/c1-3-9-15-13(7-1)12-6-5-11-16-10-4-2-8-14(12)16;1-7(2,3,4,5)6/h1-11H;/q+1;-1.
What are the key properties of 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate?
1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate has a molecular weight of 352.22 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate is sourced from PubChem (CID 11975219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).