2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)

C20H15F2N4Pt+ — CID 155294429

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)
SMILESC[n+]1[c-]n(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt+2]
InChIInChI=1S/C11H6F2N.C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2-7H,1H3;/q-1;;+2
InChIKeyPNBXLWXPLJXXRK-UHFFFAOYSA-N
MW544.44 g/mol
LogP3.32
Rot. Bonds2

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+) (PubChem CID 155294429) has the molecular formula C20H15F2N4Pt+ and a molecular weight of 544.44 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)
PubChem CID155294429
Molecular FormulaC20H15F2N4Pt+
Molecular Weight544.44 g/mol
Exact Mass544.09
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)
SMILESC[n+]1[c-]n(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt+2]
InChIInChI=1S/C11H6F2N.C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2-7H,1H3;/q-1;;+2
InChIKeyPNBXLWXPLJXXRK-UHFFFAOYSA-N
XLogP3.32
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+) (CID 155294429) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+) is C[n+]1[c-]n(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt+2].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)?
The InChIKey is PNBXLWXPLJXXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N.C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2-7H,1H3;/q-1;;+2.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+)?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+) has a molecular weight of 544.44 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)pyridine;platinum(2+) is sourced from PubChem (CID 155294429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).