2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid

C118H91F2N10O9Pd5-5 — CID 157243185

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid (PubChem CID 157243185) has the molecular formula C118H91F2N10O9Pd5-5 and a molecular weight of 2363.18 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid
• PubChem CID: 157243185
• Molecular Formula: C118H91F2N10O9Pd5-5
• Molecular Weight: 2363.18 g/mol
• Exact Mass: 2359.21
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.[Pd].[Pd].[Pd].[Pd].[Pd].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C21H15NO2.C18H13N3O.2C15H10N.C11H6F2N.2C11H8N.C6H5NO2.2C5H8O2.5Pd/c23-18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;/h1-14,23H;1-12,22H;1-7,9-11H;1-6,8-11H;1-4,6-7H;2*1-6,8-9H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;/q;;5*-1
• InChIKey: FGJAJUVVJSACJI-UHFFFAOYSA-N
• XLogP: 27.34
• TPSA: 286.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2363.18
LogP ≤ 5	27.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'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 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid (CID 157243185) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.[Pd].[Pd].[Pd].[Pd].[Pd].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid?

The InChIKey is FGJAJUVVJSACJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2.C18H13N3O.2C15H10N.C11H6F2N.2C11H8N.C6H5NO2.2C5H8O2.5Pd/c23-18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;/h1-14,23H;1-12,22H;1-7,9-11H;1-6,8-11H;1-4,6-7H;2*1-6,8-9H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;/q;;5*-1;;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid has a molecular weight of 2363.18 g/mol, XLogP of 27.34, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid is sourced from PubChem (CID 157243185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).