copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate

C20H16CuF6N5O3P — CID 139069582

IUPACcopper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate
SMILESF[P-](F)(F)(F)(F)F.O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.Cu.F6P.NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-7(2,3,4,5)6;2-1(3)4/h2*1-8H;;;/q;;+2;2*-1
InChIKeyNDNRCCJAOPKNDN-UHFFFAOYSA-N
MW582.89 g/mol
LogP7.43
Rot. Bonds2

About copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate

copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate (PubChem CID 139069582) has the molecular formula C20H16CuF6N5O3P and a molecular weight of 582.89 g/mol. Its IUPAC name is copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate.

Molecular Properties

Compound Namecopper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate
PubChem CID139069582
Molecular FormulaC20H16CuF6N5O3P
Molecular Weight582.89 g/mol
Exact Mass582.02
IUPAC Namecopper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate
SMILESF[P-](F)(F)(F)(F)F.O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.Cu.F6P.NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-7(2,3,4,5)6;2-1(3)4/h2*1-8H;;;/q;;+2;2*-1
InChIKeyNDNRCCJAOPKNDN-UHFFFAOYSA-N
XLogP7.43
TPSA117.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.89
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2'-bipyridine)ruthenium(II) Bis(hexafluorophosphate)
CID 15198703
Tris(2,2'-bipyridyl-d8)ruthenium(II) hexafluorophosphate
CID 71311090
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
Tris(2,2'-bipyridine)cobalt(II) Bis(hexafluorophosphate)
CID 15610156
Tris(2,2'-bipyridine)iron(II) hexafluoro-phosphat
CID 45045670
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Tris(2,2'-bipyridine)cobalt(III) Tris(hexafluorophosphate)
CID 15443683
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate?
The IUPAC name of copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate (CID 139069582) is copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate.
What is the SMILES notation for copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate?
The canonical SMILES for copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate is F[P-](F)(F)(F)(F)F.O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate?
The InChIKey is NDNRCCJAOPKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.Cu.F6P.NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-7(2,3,4,5)6;2-1(3)4/h2*1-8H;;;/q;;+2;2*-1.
What are the key properties of copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate?
copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate has a molecular weight of 582.89 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-pyridin-2-ylpyridine);hexafluorophosphate;nitrate is sourced from PubChem (CID 139069582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).