3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide

C71H62F15Ir5N10-5 — CID 159755130

IUPAC3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide
SMILESCc1cc(-c2cccc(C(C)(C)C)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C)n2)[c-]c(C(F)(F)F)n1.Cc1ccc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1ccc(-c2[c-]cc(C(F)(F)F)nc2C)nc1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(C)(C)C)n1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C16H16F3N2.3C13H10F3N2.5Ir/c1-10-8-11(9-14(20-10)16(17,18)19)12-6-5-7-13(21-12)15(2,3)4;1-10-11(8-9-14(20-10)16(17,18)19)12-6-5-7-13(21-12)15(2,3)4;1-8-3-5-11(17-7-8)10-4-6-12(13(14,15)16)18-9(10)2;1-8-3-4-11(17-7-8)10-5-9(2)18-12(6-10)13(14,15)16;1-8-4-3-5-11(17-8)10-6-9(2)18-12(7-10)13(14,15)16;;;;;/h5-8H,1-4H3;5-7,9H,1-4H3;3,5-7H,1-2H3;3-5,7H,1-2H3;3-6H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyRFUXBYUDUNDQFH-UHFFFAOYSA-N
MW2301.40 g/mol
LogP19.86
Rot. Bonds5

About 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide

3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide (PubChem CID 159755130) has the molecular formula C71H62F15Ir5N10-5 and a molecular weight of 2301.40 g/mol. Its IUPAC name is 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide.

Molecular Properties

Compound Name3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide
PubChem CID159755130
Molecular FormulaC71H62F15Ir5N10-5
Molecular Weight2301.40 g/mol
Exact Mass2304.31
IUPAC Name3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide
SMILESCc1cc(-c2cccc(C(C)(C)C)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C)n2)[c-]c(C(F)(F)F)n1.Cc1ccc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1ccc(-c2[c-]cc(C(F)(F)F)nc2C)nc1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(C)(C)C)n1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C16H16F3N2.3C13H10F3N2.5Ir/c1-10-8-11(9-14(20-10)16(17,18)19)12-6-5-7-13(21-12)15(2,3)4;1-10-11(8-9-14(20-10)16(17,18)19)12-6-5-7-13(21-12)15(2,3)4;1-8-3-5-11(17-7-8)10-4-6-12(13(14,15)16)18-9(10)2;1-8-3-4-11(17-7-8)10-5-9(2)18-12(6-10)13(14,15)16;1-8-4-3-5-11(17-8)10-6-9(2)18-12(7-10)13(14,15)16;;;;;/h5-8H,1-4H3;5-7,9H,1-4H3;3,5-7H,1-2H3;3-5,7H,1-2H3;3-6H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyRFUXBYUDUNDQFH-UHFFFAOYSA-N
XLogP19.86
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002301.40
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide?
The IUPAC name of 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide (CID 159755130) is 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide.
What is the SMILES notation for 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide?
The canonical SMILES for 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide is Cc1cc(-c2cccc(C(C)(C)C)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C)n2)[c-]c(C(F)(F)F)n1.Cc1ccc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1ccc(-c2[c-]cc(C(F)(F)F)nc2C)nc1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(C)(C)C)n1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide?
The InChIKey is RFUXBYUDUNDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16F3N2.3C13H10F3N2.5Ir/c1-10-8-11(9-14(20-10)16(17,18)19)12-6-5-7-13(21-12)15(2,3)4;1-10-11(8-9-14(20-10)16(17,18)19)12-6-5-7-13(21-12)15(2,3)4;1-8-3-5-11(17-7-8)10-4-6-12(13(14,15)16)18-9(10)2;1-8-3-4-11(17-7-8)10-5-9(2)18-12(6-10)13(14,15)16;1-8-4-3-5-11(17-8)10-6-9(2)18-12(7-10)13(14,15)16;;;;;/h5-8H,1-4H3;5-7,9H,1-4H3;3,5-7H,1-2H3;3-5,7H,1-2H3;3-6H,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide?
3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide has a molecular weight of 2301.40 g/mol, XLogP of 19.86, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;pentakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide is sourced from PubChem (CID 159755130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).