2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid

C104H83F18Ir3N6O8OsP2-5 — CID 158458352

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid
SMILESCC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1ccccn1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir].[Ir].[Ir].[Os].[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(PC(=C(Pc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22P2.C22H16N2.C13H12N.C12H6F4N.C12H10N.C6H5NO2.C5H12O2.2C4HF7O2.3Ir.Os/c1-5-13-21(14-6-1)25(27-23-17-9-3-10-18-23)26(22-15-7-2-8-16-22)28-24-19-11-4-12-20-24;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;/h1-20,27-28H;1-16H;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;1-4H,(H,8,9);4-7H,3H2,1-2H3;2*(H,12,13);;;;/q;;3*-1;;;;;;;;/p-2
InChIKeySJZBHOOCLYEXHY-UHFFFAOYSA-L
MW2715.63 g/mol
LogP23.39
Rot. Bonds20

About 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid

2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid (PubChem CID 158458352) has the molecular formula C104H83F18Ir3N6O8OsP2-5 and a molecular weight of 2715.63 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid
PubChem CID158458352
Molecular FormulaC104H83F18Ir3N6O8OsP2-5
Molecular Weight2715.63 g/mol
Exact Mass2718.40
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid
SMILESCC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1ccccn1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir].[Ir].[Ir].[Os].[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(PC(=C(Pc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22P2.C22H16N2.C13H12N.C12H6F4N.C12H10N.C6H5NO2.C5H12O2.2C4HF7O2.3Ir.Os/c1-5-13-21(14-6-1)25(27-23-17-9-3-10-18-23)26(22-15-7-2-8-16-22)28-24-19-11-4-12-20-24;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;/h1-20,27-28H;1-16H;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;1-4H,(H,8,9);4-7H,3H2,1-2H3;2*(H,12,13);;;;/q;;3*-1;;;;;;;;/p-2
InChIKeySJZBHOOCLYEXHY-UHFFFAOYSA-L
XLogP23.39
TPSA235.36 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002715.63
LogP ≤ 523.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid (CID 158458352) is 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid is CC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1ccccn1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir].[Ir].[Ir].[Os].[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(PC(=C(Pc2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid?
The InChIKey is SJZBHOOCLYEXHY-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H22P2.C22H16N2.C13H12N.C12H6F4N.C12H10N.C6H5NO2.C5H12O2.2C4HF7O2.3Ir.Os/c1-5-13-21(14-6-1)25(27-23-17-9-3-10-18-23)26(22-15-7-2-8-16-22)28-24-19-11-4-12-20-24;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;/h1-20,27-28H;1-16H;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;1-4H,(H,8,9);4-7H,3H2,1-2H3;2*(H,12,13);;;;/q;;3*-1;;;;;;;;/p-2.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid?
2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid has a molecular weight of 2715.63 g/mol, XLogP of 23.39, 20 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(1,2-diphenyl-2-phenylphosphanylethenyl)-phenylphosphane;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;pentane-2,4-diol;2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;pyridine-2-carboxylic acid is sourced from PubChem (CID 158458352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).