2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C98H74F13Ir5N15O8-6 — CID 160757373

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)Cc1ccc(-c2[c-]cc(F)cc2F)nc1.CC(C)Cc1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)c1c(F)c[c-]c(-c2ccccn2)c1F.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C15H14F2N.C14H13F2N2.C14H12F2N.C12H5F2N2.C10H5F2N2.C9H5F3N3.4C6H5NO2.5Ir/c1-10(2)7-11-3-6-15(18-9-11)13-5-4-12(16)8-14(13)17;1-9(2)7-10-5-6-17-12(8-10)11-3-4-13(15)18-14(11)16;1-9(2)13-11(15)7-6-10(14(13)16)12-5-3-4-8-17-12;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;4*8-6(9)5-3-1-2-4-7-5;;;;;/h3-4,6,8-10H,7H2,1-2H3;4-6,8-9H,7H2,1-2H3;3-5,7-9H,1-2H3;2-4,6-7H;1-3,5-6H;1-5H;4*1-4H,(H,8,9);;;;;/q6*-1;;;;;;;;;
InChIKeyRICVJZJZRVFTOU-UHFFFAOYSA-N
MW2797.83 g/mol
LogP22.22
Rot. Bonds15

About 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 160757373) has the molecular formula C98H74F13Ir5N15O8-6 and a molecular weight of 2797.83 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID160757373
Molecular FormulaC98H74F13Ir5N15O8-6
Molecular Weight2797.83 g/mol
Exact Mass2800.38
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)Cc1ccc(-c2[c-]cc(F)cc2F)nc1.CC(C)Cc1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)c1c(F)c[c-]c(-c2ccccn2)c1F.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C15H14F2N.C14H13F2N2.C14H12F2N.C12H5F2N2.C10H5F2N2.C9H5F3N3.4C6H5NO2.5Ir/c1-10(2)7-11-3-6-15(18-9-11)13-5-4-12(16)8-14(13)17;1-9(2)7-10-5-6-17-12(8-10)11-3-4-13(15)18-14(11)16;1-9(2)13-11(15)7-6-10(14(13)16)12-5-3-4-8-17-12;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;4*8-6(9)5-3-1-2-4-7-5;;;;;/h3-4,6,8-10H,7H2,1-2H3;4-6,8-9H,7H2,1-2H3;3-5,7-9H,1-2H3;2-4,6-7H;1-3,5-6H;1-5H;4*1-4H,(H,8,9);;;;;/q6*-1;;;;;;;;;
InChIKeyRICVJZJZRVFTOU-UHFFFAOYSA-N
XLogP22.22
TPSA335.23 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002797.83
LogP ≤ 522.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 160757373) is 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(C)Cc1ccc(-c2[c-]cc(F)cc2F)nc1.CC(C)Cc1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)c1c(F)c[c-]c(-c2ccccn2)c1F.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is RICVJZJZRVFTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N.C14H13F2N2.C14H12F2N.C12H5F2N2.C10H5F2N2.C9H5F3N3.4C6H5NO2.5Ir/c1-10(2)7-11-3-6-15(18-9-11)13-5-4-12(16)8-14(13)17;1-9(2)7-10-5-6-17-12(8-10)11-3-4-13(15)18-14(11)16;1-9(2)13-11(15)7-6-10(14(13)16)12-5-3-4-8-17-12;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;4*8-6(9)5-3-1-2-4-7-5;;;;;/h3-4,6,8-10H,7H2,1-2H3;4-6,8-9H,7H2,1-2H3;3-5,7-9H,1-2H3;2-4,6-7H;1-3,5-6H;1-5H;4*1-4H,(H,8,9);;;;;/q6*-1;;;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2797.83 g/mol, XLogP of 22.22, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[4-(2-methylpropyl)-2-pyridinyl]-4H-pyridin-4-ide;2-(2,4-difluoro-3-propan-2-ylbenzene-6-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tetrakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 160757373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).