2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)

C88H77F21Ir6N6O14 — CID 159890119

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)
SMILESCOc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cccnc1-c1[c-]cc(F)c(C(F)(F)F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C13H7F5N.C13H8F4NO.2C13H8F4N.C12H8F2NO.C12H8F2N.6C2H4O2.6Ir/c1-7-4-5-19-10(6-7)8-2-3-9(14)11(12(8)15)13(16,17)18;1-19-9-4-5-18-12(7-9)8-2-3-11(14)10(6-8)13(15,16)17;1-8-4-5-18-12(6-8)9-2-3-11(14)10(7-9)13(15,16)17;1-8-3-2-6-18-12(8)9-4-5-11(14)10(7-9)13(15,16)17;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;6*1-2(3)4;;;;;;/h3-6H,1H3;3-7H,1H3;3-7H,1H3;2-3,5-7H,1H3;2,4-7H,1H3;2,4-7H,1H3;6*1H3,(H,3,4);;;;;;/q6*-1;;;;;;;;;;;;/p+6
InChIKeyWLLXXUJEIIEWFS-UHFFFAOYSA-T
MW2994.87 g/mol
LogP22.26
Rot. Bonds8

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium) (PubChem CID 159890119) has the molecular formula C88H77F21Ir6N6O14 and a molecular weight of 2994.87 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)
PubChem CID159890119
Molecular FormulaC88H77F21Ir6N6O14
Molecular Weight2994.87 g/mol
Exact Mass2998.29
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)
SMILESCOc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cccnc1-c1[c-]cc(F)c(C(F)(F)F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C13H7F5N.C13H8F4NO.2C13H8F4N.C12H8F2NO.C12H8F2N.6C2H4O2.6Ir/c1-7-4-5-19-10(6-7)8-2-3-9(14)11(12(8)15)13(16,17)18;1-19-9-4-5-18-12(7-9)8-2-3-11(14)10(6-8)13(15,16)17;1-8-4-5-18-12(6-8)9-2-3-11(14)10(7-9)13(15,16)17;1-8-3-2-6-18-12(8)9-4-5-11(14)10(7-9)13(15,16)17;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;6*1-2(3)4;;;;;;/h3-6H,1H3;3-7H,1H3;3-7H,1H3;2-3,5-7H,1H3;2,4-7H,1H3;2,4-7H,1H3;6*1H3,(H,3,4);;;;;;/q6*-1;;;;;;;;;;;;/p+6
InChIKeyWLLXXUJEIIEWFS-UHFFFAOYSA-T
XLogP22.26
TPSA345.58 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002994.87
LogP ≤ 522.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium) (CID 159890119) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium) is COc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cccnc1-c1[c-]cc(F)c(C(F)(F)F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)?
The InChIKey is WLLXXUJEIIEWFS-UHFFFAOYSA-T. The full InChI is InChI=1S/C13H7F5N.C13H8F4NO.2C13H8F4N.C12H8F2NO.C12H8F2N.6C2H4O2.6Ir/c1-7-4-5-19-10(6-7)8-2-3-9(14)11(12(8)15)13(16,17)18;1-19-9-4-5-18-12(7-9)8-2-3-11(14)10(6-8)13(15,16)17;1-8-4-5-18-12(6-8)9-2-3-11(14)10(7-9)13(15,16)17;1-8-3-2-6-18-12(8)9-4-5-11(14)10(7-9)13(15,16)17;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;6*1-2(3)4;;;;;;/h3-6H,1H3;3-7H,1H3;3-7H,1H3;2-3,5-7H,1H3;2,4-7H,1H3;2,4-7H,1H3;6*1H3,(H,3,4);;;;;;/q6*-1;;;;;;;;;;;;/p+6.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium)?
2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium) has a molecular weight of 2994.87 g/mol, XLogP of 22.26, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;hexakis(1-hydroxyethylideneoxidanium);hexakis(iridium) is sourced from PubChem (CID 159890119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).