methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)

C21H16F3N3OPt — CID 58004407

IUPACmethyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)
SMILESC[N-]C(=O)C(C)(C)c1cccc(-c2[c-]c(-c3ccccn3)c(F)c(F)c2F)n1.[Pt+2]
InChIInChI=1S/C21H17F3N3O.Pt/c1-21(2,20(28)25-3)16-9-6-8-15(27-16)13-11-12(14-7-4-5-10-26-14)17(22)19(24)18(13)23;/h4-10H,1-3H3,(H,25,28);/q-1;+2/p-1
InChIKeyMBVKVBRMRXEORM-UHFFFAOYSA-M
MW578.45 g/mol
LogP4.83
Rot. Bonds4

About methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)

methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+) (PubChem CID 58004407) has the molecular formula C21H16F3N3OPt and a molecular weight of 578.45 g/mol. Its IUPAC name is methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+).

Molecular Properties

Compound Namemethyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)
PubChem CID58004407
Molecular FormulaC21H16F3N3OPt
Molecular Weight578.45 g/mol
Exact Mass578.09
IUPAC Namemethyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)
SMILESC[N-]C(=O)C(C)(C)c1cccc(-c2[c-]c(-c3ccccn3)c(F)c(F)c2F)n1.[Pt+2]
InChIInChI=1S/C21H17F3N3O.Pt/c1-21(2,20(28)25-3)16-9-6-8-15(27-16)13-11-12(14-7-4-5-10-26-14)17(22)19(24)18(13)23;/h4-10H,1-3H3,(H,25,28);/q-1;+2/p-1
InChIKeyMBVKVBRMRXEORM-UHFFFAOYSA-M
XLogP4.83
TPSA56.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol
CID 102283028
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-one
CID 170899869
2-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-(2-pyridin-2-ylpropan-2-yl)pyridine;platinum(2+)
CID 58752842
2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum
CID 58620891
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)
CID 58709031
acetonitrile;cobalt(2+);2-pyridin-2-yl-6-[1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042422
(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid
CID 140743566
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
1-(6-pyridin-2-yl-2-pyridinyl)but-2-yn-1-one
CID 135252428

Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)?
The IUPAC name of methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+) (CID 58004407) is methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+).
What is the SMILES notation for methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)?
The canonical SMILES for methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+) is C[N-]C(=O)C(C)(C)c1cccc(-c2[c-]c(-c3ccccn3)c(F)c(F)c2F)n1.[Pt+2].
What is the InChIKey of methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)?
The InChIKey is MBVKVBRMRXEORM-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17F3N3O.Pt/c1-21(2,20(28)25-3)16-9-6-8-15(27-16)13-11-12(14-7-4-5-10-26-14)17(22)19(24)18(13)23;/h4-10H,1-3H3,(H,25,28);/q-1;+2/p-1.
What are the key properties of methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+)?
methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+) has a molecular weight of 578.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-2-[6-(2,3,4-trifluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propanoyl]azanide;platinum(2+) is sourced from PubChem (CID 58004407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).