2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum

C15H14F6N3O2Pt- — CID 20807316

IUPAC2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum
SMILESCC(=O)/C=C(/C)O.FC(F)(F)C1N=C(c2ccccn2)[N-]C1C(F)(F)F.[Pt]
InChIInChI=1S/C10H6F6N3.C5H8O2.Pt/c11-9(12,13)6-7(10(14,15)16)19-8(18-6)5-3-1-2-4-17-5;1-4(6)3-5(2)7;/h1-4,6-7H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyGFYSIZNUTLLHJI-LWFKIUJUSA-N
MW577.36 g/mol
LogP4.11
Rot. Bonds2

About 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum

2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum (PubChem CID 20807316) has the molecular formula C15H14F6N3O2Pt- and a molecular weight of 577.36 g/mol. Its IUPAC name is 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

Compound Name2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum
PubChem CID20807316
Molecular FormulaC15H14F6N3O2Pt-
Molecular Weight577.36 g/mol
Exact Mass577.06
IUPAC Name2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum
SMILESCC(=O)/C=C(/C)O.FC(F)(F)C1N=C(c2ccccn2)[N-]C1C(F)(F)F.[Pt]
InChIInChI=1S/C10H6F6N3.C5H8O2.Pt/c11-9(12,13)6-7(10(14,15)16)19-8(18-6)5-3-1-2-4-17-5;1-4(6)3-5(2)7;/h1-4,6-7H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyGFYSIZNUTLLHJI-LWFKIUJUSA-N
XLogP4.11
TPSA76.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);iron(3+);4-pyridin-2-yl-1,2-dithia-5-aza-3-azanidacyclopent-4-ene
CID 139128269
(Z)-4-hydroxypent-3-en-2-one;iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
CID 20807125
2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 20807310
2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;iridium
CID 57604110
(Z)-4-hydroxypent-3-en-2-one;iridium;2-[4-methyl-5-(trifluoromethyl)imidazol-3-id-2-yl]pyridine
CID 57797074
2-[4,5-Bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;iridium
CID 57797077
2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57797082
2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58881160
[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine
CID 59005759
2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 59005789
2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59656776
[(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene]oxidanium;phenylbenzene;2-phenylpyridine;platinum
CID 60139418

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum?
The IUPAC name of 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum (CID 20807316) is 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum.
What is the SMILES notation for 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum?
The canonical SMILES for 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum is CC(=O)/C=C(/C)O.FC(F)(F)C1N=C(c2ccccn2)[N-]C1C(F)(F)F.[Pt].
What is the InChIKey of 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum?
The InChIKey is GFYSIZNUTLLHJI-LWFKIUJUSA-N. The full InChI is InChI=1S/C10H6F6N3.C5H8O2.Pt/c11-9(12,13)6-7(10(14,15)16)19-8(18-6)5-3-1-2-4-17-5;1-4(6)3-5(2)7;/h1-4,6-7H;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum?
2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 577.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(trifluoromethyl)-4,5-dihydroimidazol-3-id-2-yl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 20807316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).