bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid)

C109H87F7Ir6N16O10-6 — CID 158500194

About bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid)

bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid) (PubChem CID 158500194) has the molecular formula C109H87F7Ir6N16O10-6 and a molecular weight of 3067.28 g/mol. Its IUPAC name is bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid)
• PubChem CID: 158500194
• Molecular Formula: C109H87F7Ir6N16O10-6
• Molecular Weight: 3067.28 g/mol
• Exact Mass: 3070.45
• IUPAC Name: bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccnc(-c2[c-]cc(C(F)(F)F)nc2C)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1nc(C#N)c[c-]c1-c1cc(N(C)C)ccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccncc1-c1cc(-c2ccccc2)ccn1
• InChI: InChI=1S/C19H12N.C16H11N2.C14H10N5.C13H10F3N2.2C10H5F2N2.2C6H5NO2.3C5H8O2.6Ir/c1-3-9-16-14(6-1)8-5-10-17(16)19-13-12-15-7-2-4-11-18(15)20-19;1-2-5-13(6-3-1)14-8-10-18-16(11-14)15-7-4-9-17-12-15;1-16-14-12(5-4-10(9-15)18-14)13-8-11(19(2)3)6-7-17-13;1-8-5-6-17-11(7-8)10-3-4-12(13(14,15)16)18-9(10)2;2*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;/h1-9,11-13H;1-6,8-12H;4,6-8H,2-3H3;4-7H,1-2H3;2*1-3,5-6H;2*1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;/q6*-1
• InChIKey: RLDVIICYIHGDKN-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 385.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3067.28
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The IUPAC name of bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid) (CID 158500194) is bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccnc(-c2[c-]cc(C(F)(F)F)nc2C)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1nc(C#N)c[c-]c1-c1cc(N(C)C)ccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccncc1-c1cc(-c2ccccc2)ccn1.

What is the InChIKey of bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The InChIKey is RLDVIICYIHGDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N.C16H11N2.C14H10N5.C13H10F3N2.2C10H5F2N2.2C6H5NO2.3C5H8O2.6Ir/c1-3-9-16-14(6-1)8-5-10-17(16)19-13-12-15-7-2-4-11-18(15)20-19;1-2-5-13(6-3-1)14-8-10-18-16(11-14)15-7-4-9-17-12-15;1-16-14-12(5-4-10(9-15)18-14)13-8-11(19(2)3)6-7-17-13;1-8-5-6-17-11(7-8)10-3-4-12(13(14,15)16)18-9(10)2;2*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;/h1-9,11-13H;1-6,8-12H;4,6-8H,2-3H3;4-7H,1-2H3;2*1-3,5-6H;2*1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;.

What are the key properties of bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid)?

bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid) has a molecular weight of 3067.28 g/mol, XLogP of 23.58, 13 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);5-[4-(dimethylamino)-2-pyridinyl]-6-isocyano-4H-pyridin-4-ide-2-carbonitrile;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-(2H-naphthalen-2-id-1-yl)quinoline;4-phenyl-2-(4H-pyridin-4-id-3-yl)pyridine;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 158500194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).