2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)

C78H54F10Ir5N15O9-5 — CID 161074008

IUPAC2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)
SMILESCN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C12H10F2N3.C11H7F2N2O.C11H7F2N2.2C10H5F2N2.4C6H5NO2.5Ir/c1-17(2)8-5-6-15-10(7-8)9-3-4-11(13)16-12(9)14;1-16-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;1-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;2*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;4*8-6(9)5-3-1-2-4-7-5;;;;;/h4-7H,1-2H3;3-6H,1H3;3-6H,1H3;2*1-3,5-6H;4*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;
InChIKeyQLHCLNPRBOVHRX-UHFFFAOYSA-N
MW2496.45 g/mol
LogP14.60
Rot. Bonds11

About 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)

2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid) (PubChem CID 161074008) has the molecular formula C78H54F10Ir5N15O9-5 and a molecular weight of 2496.45 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid).

Molecular Properties

Compound Name2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)
PubChem CID161074008
Molecular FormulaC78H54F10Ir5N15O9-5
Molecular Weight2496.45 g/mol
Exact Mass2499.22
IUPAC Name2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)
SMILESCN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C12H10F2N3.C11H7F2N2O.C11H7F2N2.2C10H5F2N2.4C6H5NO2.5Ir/c1-17(2)8-5-6-15-10(7-8)9-3-4-11(13)16-12(9)14;1-16-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;1-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;2*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;4*8-6(9)5-3-1-2-4-7-5;;;;;/h4-7H,1-2H3;3-6H,1H3;3-6H,1H3;2*1-3,5-6H;4*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;
InChIKeyQLHCLNPRBOVHRX-UHFFFAOYSA-N
XLogP14.60
TPSA342.13 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002496.45
LogP ≤ 514.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid) with MolForge

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Related Compounds

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;pentakis(iridium);pyridine-2-carboxylic acid
CID 157181533
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)-4-methoxypyridine;bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);bis(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid)
CID 157289839
bis(2,6-dimethoxy-3-pyridin-2-yl-4H-pyridin-4-ide);bis(2,6-dimethoxy-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide);tetrakis(iridium);bis(6-methoxy-2-methyl-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(6-methoxy-2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide);tetrakis(pyridine-2-carboxylic acid)
CID 157304481
2-(2,4-Dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)
CID 157314476
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 157540889
2-(4-Fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline;tetrakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoxaline;2-(4-phenylbenzene-6-id-1-yl)-3-(4-phenylphenyl)-5,6,7,8-tetrahydroquinoxaline;tetrakis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoxaline
CID 157741197
tetrakis(1-[2-(2,4-diphenoxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);pyridine-2-carboxylic acid
CID 157763976
bis(2-[2,4-bis(phenylsulfanyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);N,N-dimethyl-2-(4-phenoxy-2-phenylsulfanylbenzene-6-id-1-yl)pyridin-4-amine;2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);pyridine-2-carboxylic acid
CID 158088847
1-[2-[2,4-bis(phenylsulfanyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;tris(1-[2-(2,4-diphenoxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;pyridine-2-carboxylic acid
CID 158103369
1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid
CID 158505362
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(pyridine-2-carboxylic acid)
CID 158682071
[(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethoxybenzene-6-id-1-yl)pyridine);tetrakis(iridium);iridium(3+);pyridine-2-carboxylic acid;[C-pyridin-2-yl-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-pyridin-2-ylbut-1-enyl]azanide
CID 158756793

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)?
The IUPAC name of 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid) (CID 161074008) is 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid).
What is the SMILES notation for 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)?
The canonical SMILES for 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid) is CN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)?
The InChIKey is QLHCLNPRBOVHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N3.C11H7F2N2O.C11H7F2N2.2C10H5F2N2.4C6H5NO2.5Ir/c1-17(2)8-5-6-15-10(7-8)9-3-4-11(13)16-12(9)14;1-16-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;1-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;2*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;4*8-6(9)5-3-1-2-4-7-5;;;;;/h4-7H,1-2H3;3-6H,1H3;3-6H,1H3;2*1-3,5-6H;4*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;.
What are the key properties of 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid)?
2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid) has a molecular weight of 2496.45 g/mol, XLogP of 14.60, 11 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);pentakis(iridium);tetrakis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 161074008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).