2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid

C76H55F16N6O11Pt4-3 — CID 158959065

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid (PubChem CID 158959065) has the molecular formula C76H55F16N6O11Pt4-3 and a molecular weight of 2312.59 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid
• PubChem CID: 158959065
• Molecular Formula: C76H55F16N6O11Pt4-3
• Molecular Weight: 2312.59 g/mol
• Exact Mass: 2311.23
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid
• SMILES: CC(=O)C=C(C)O.COc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(O)c1ccccn1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Pt+2].[Pt].[Pt].[Pt]
• InChI: InChI=1S/5C12H8F2NO.C6H5NO2.C5H2F6O2.C5H8O2.4Pt/c1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;4*13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;8-6(9)5-3-1-2-4-7-5;6-4(7,8)2(12)1-3(13)5(9,10)11;1-4(6)3-5(2)7;;;;/h2,4-7H,1H3;4*1,3-6,16H,7H2;1-4H,(H,8,9);1,12H;3,6H,1-2H3;;;;/q5*-1;;;;;;;+2
• InChIKey: AXFBPABQZWEMKW-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 279.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.59
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

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)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid (CID 158959065) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid is CC(=O)C=C(C)O.COc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(O)c1ccccn1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Pt+2].[Pt].[Pt].[Pt].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid?

The InChIKey is AXFBPABQZWEMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H8F2NO.C6H5NO2.C5H2F6O2.C5H8O2.4Pt/c1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;4*13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;8-6(9)5-3-1-2-4-7-5;6-4(7,8)2(12)1-3(13)5(9,10)11;1-4(6)3-5(2)7;;;;/h2,4-7H,1H3;4*1,3-6,16H,7H2;1-4H,(H,8,9);1,12H;3,6H,1-2H3;;;;/q5*-1;;;;;;;+2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid has a molecular weight of 2312.59 g/mol, XLogP of 16.04, 13 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid is sourced from PubChem (CID 158959065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).