2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine

C16H8F6N8Pt — CID 156661587

IUPAC2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine
SMILESFC(F)(F)c1n[n-]c(-c2cccc(-c3nc(C(F)(F)F)n[n-]3)n2)n1.[Pt+2].c1ccncc1
InChIInChI=1S/C11H3F6N7.C5H5N.Pt/c12-10(13,14)8-19-6(21-23-8)4-2-1-3-5(18-4)7-20-9(24-22-7)11(15,16)17;1-2-4-6-5-3-1;/h1-3H;1-5H;/q-2;;+2
InChIKeyHCRAZXLJGOTVOX-UHFFFAOYSA-N
MW621.36 g/mol
LogP3.03
Rot. Bonds2

About 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine

2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine (PubChem CID 156661587) has the molecular formula C16H8F6N8Pt and a molecular weight of 621.36 g/mol. Its IUPAC name is 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine.

Molecular Properties

Compound Name2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine
PubChem CID156661587
Molecular FormulaC16H8F6N8Pt
Molecular Weight621.36 g/mol
Exact Mass621.04
IUPAC Name2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine
SMILESFC(F)(F)c1n[n-]c(-c2cccc(-c3nc(C(F)(F)F)n[n-]3)n2)n1.[Pt+2].c1ccncc1
InChIInChI=1S/C11H3F6N7.C5H5N.Pt/c12-10(13,14)8-19-6(21-23-8)4-2-1-3-5(18-4)7-20-9(24-22-7)11(15,16)17;1-2-4-6-5-3-1;/h1-3H;1-5H;/q-2;;+2
InChIKeyHCRAZXLJGOTVOX-UHFFFAOYSA-N
XLogP3.03
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Platinum(2+);bis(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine)
CID 155809276
Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
CID 142576013
platinum [2,6-bis[5-(trifluoromethyl)-1,2,4-triazol-3-yl-kappaN2]pyridinato (2-)-kappaN]][N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-pyridinamine-kappaN]
CID 91971359
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine;triphenylarsane
CID 168336608
Platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine;triphenylphosphanium
CID 168336609
Bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);hydrate
CID 168338208
Tetrakis(dimethyl(phenyl)phosphanium);bis(osmium(2+));bis(2-pyridin-2-ylpyridine);3-(trifluoromethyl)-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene;3-(trifluoromethyl)-5-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene
CID 168338209
2,6-Bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;methylsulfinylmethane;platinum(2+);pyridin-4-ol
CID 168339396
Platinum(2+);3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168346600

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine?
The IUPAC name of 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine (CID 156661587) is 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine.
What is the SMILES notation for 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine?
The canonical SMILES for 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine is FC(F)(F)c1n[n-]c(-c2cccc(-c3nc(C(F)(F)F)n[n-]3)n2)n1.[Pt+2].c1ccncc1.
What is the InChIKey of 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine?
The InChIKey is HCRAZXLJGOTVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F6N7.C5H5N.Pt/c12-10(13,14)8-19-6(21-23-8)4-2-1-3-5(18-4)7-20-9(24-22-7)11(15,16)17;1-2-4-6-5-3-1;/h1-3H;1-5H;/q-2;;+2.
What are the key properties of 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine?
2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine has a molecular weight of 621.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine is sourced from PubChem (CID 156661587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).