3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide

C106H90F32Ir6N12O12-6 — CID 160649909

IUPAC3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(C(F)(F)F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(F)(F)F)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C13H7F6N2.2C12H7F4N2.6C5H8O2.6Ir/c1-7-9(3-5-11(21-7)13(17,18)19)10-4-2-8(6-20-10)12(14,15)16;1-7-4-8(5-11(21-7)13(17,18)19)10-3-2-9(6-20-10)12(14,15)16;1-7-5-8(6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-8(5-6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;6*1-4(6)3-5(2)7;;;;;;/h2,4-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;2-4,6H,1H3;3-6H,1H3;6*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;
InChIKeyVXIWGLJEMUJVBI-UHFFFAOYSA-N
MW3485.20 g/mol
LogP30.19
Rot. Bonds12

About 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide

3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide (PubChem CID 160649909) has the molecular formula C106H90F32Ir6N12O12-6 and a molecular weight of 3485.20 g/mol. Its IUPAC name is 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide.

Molecular Properties

Compound Name3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide
PubChem CID160649909
Molecular FormulaC106H90F32Ir6N12O12-6
Molecular Weight3485.20 g/mol
Exact Mass3488.41
IUPAC Name3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(C(F)(F)F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(F)(F)F)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C13H7F6N2.2C12H7F4N2.6C5H8O2.6Ir/c1-7-9(3-5-11(21-7)13(17,18)19)10-4-2-8(6-20-10)12(14,15)16;1-7-4-8(5-11(21-7)13(17,18)19)10-3-2-9(6-20-10)12(14,15)16;1-7-5-8(6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-8(5-6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;6*1-4(6)3-5(2)7;;;;;;/h2,4-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;2-4,6H,1H3;3-6H,1H3;6*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;
InChIKeyVXIWGLJEMUJVBI-UHFFFAOYSA-N
XLogP30.19
TPSA378.48 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003485.20
LogP ≤ 530.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide?
The IUPAC name of 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide (CID 160649909) is 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide.
What is the SMILES notation for 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide?
The canonical SMILES for 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(C(F)(F)F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(F)(F)F)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide?
The InChIKey is VXIWGLJEMUJVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H7F6N2.2C12H7F4N2.6C5H8O2.6Ir/c1-7-9(3-5-11(21-7)13(17,18)19)10-4-2-8(6-20-10)12(14,15)16;1-7-4-8(5-11(21-7)13(17,18)19)10-3-2-9(6-20-10)12(14,15)16;1-7-5-8(6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-8(5-6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;6*1-4(6)3-5(2)7;;;;;;/h2,4-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;2-4,6H,1H3;3-6H,1H3;6*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;.
What are the key properties of 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide?
3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide has a molecular weight of 3485.20 g/mol, XLogP of 30.19, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide is sourced from PubChem (CID 160649909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).