2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C76H45F23Ir6N6-6 — CID 158145682

IUPAC2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCc1cc(-c2ccccn2)[c-]cc1C(F)(F)F.Cc1cc(-c2ccccn2)[c-]cc1F.Cc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.Cc1ccnc(-c2[c-]cc(F)cc2C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(C(F)(F)F)c1.Fc1cc(F)c(C(F)(F)F)[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C14H8F6N.C13H8F4N.C13H9F3N.C12H5F5N.C12H6F4N.C12H9FN.6Ir/c1-8-2-3-21-12(4-8)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20;1-8-4-5-18-12(6-8)10-3-2-9(14)7-11(10)13(15,16)17;1-9-8-10(12-4-2-3-7-17-12)5-6-11(9)13(14,15)16;13-9-6-10(14)8(12(15,16)17)5-7(9)11-3-1-2-4-18-11;13-8-4-5-9(10(7-8)12(14,15)16)11-3-1-2-6-17-11;1-9-8-10(5-6-11(9)13)12-4-2-3-7-14-12;;;;;;/h2-5,7H,1H3;2,4-7H,1H3;2-4,6-8H,1H3;1-4,6H;1-4,6-7H;2-4,6-8H,1H3;;;;;;/q6*-1;;;;;;
InChIKeyZMMYURTXKXRCKF-UHFFFAOYSA-N
MW2632.49 g/mol
LogP23.32
Rot. Bonds6

About 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 158145682) has the molecular formula C76H45F23Ir6N6-6 and a molecular weight of 2632.49 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID158145682
Molecular FormulaC76H45F23Ir6N6-6
Molecular Weight2632.49 g/mol
Exact Mass2636.11
IUPAC Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCc1cc(-c2ccccn2)[c-]cc1C(F)(F)F.Cc1cc(-c2ccccn2)[c-]cc1F.Cc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.Cc1ccnc(-c2[c-]cc(F)cc2C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(C(F)(F)F)c1.Fc1cc(F)c(C(F)(F)F)[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C14H8F6N.C13H8F4N.C13H9F3N.C12H5F5N.C12H6F4N.C12H9FN.6Ir/c1-8-2-3-21-12(4-8)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20;1-8-4-5-18-12(6-8)10-3-2-9(14)7-11(10)13(15,16)17;1-9-8-10(12-4-2-3-7-17-12)5-6-11(9)13(14,15)16;13-9-6-10(14)8(12(15,16)17)5-7(9)11-3-1-2-4-18-11;13-8-4-5-9(10(7-8)12(14,15)16)11-3-1-2-6-17-11;1-9-8-10(5-6-11(9)13)12-4-2-3-7-14-12;;;;;;/h2-5,7H,1H3;2,4-7H,1H3;2-4,6-8H,1H3;1-4,6H;1-4,6-7H;2-4,6-8H,1H3;;;;;;/q6*-1;;;;;;
InChIKeyZMMYURTXKXRCKF-UHFFFAOYSA-N
XLogP23.32
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002632.49
LogP ≤ 523.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine with MolForge

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Related Compounds

Iridium;tris(2-phenylpyridine)
CID 23386734
(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
Ru(II)(bpy)2(Mebpy-cyclam-2H+)
CID 16683895

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 158145682) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is Cc1cc(-c2ccccn2)[c-]cc1C(F)(F)F.Cc1cc(-c2ccccn2)[c-]cc1F.Cc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.Cc1ccnc(-c2[c-]cc(F)cc2C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(C(F)(F)F)c1.Fc1cc(F)c(C(F)(F)F)[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is ZMMYURTXKXRCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N.C13H8F4N.C13H9F3N.C12H5F5N.C12H6F4N.C12H9FN.6Ir/c1-8-2-3-21-12(4-8)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20;1-8-4-5-18-12(6-8)10-3-2-9(14)7-11(10)13(15,16)17;1-9-8-10(12-4-2-3-7-17-12)5-6-11(9)13(14,15)16;13-9-6-10(14)8(12(15,16)17)5-7(9)11-3-1-2-4-18-11;13-8-4-5-9(10(7-8)12(14,15)16)11-3-1-2-6-17-11;1-9-8-10(5-6-11(9)13)12-4-2-3-7-14-12;;;;;;/h2-5,7H,1H3;2,4-7H,1H3;2-4,6-8H,1H3;1-4,6H;1-4,6-7H;2-4,6-8H,1H3;;;;;;/q6*-1;;;;;;.
What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2632.49 g/mol, XLogP of 23.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[2,4-difluoro-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium);2-[3-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158145682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).