6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

C21H15F5N3O2Pt- — CID 59399219

About 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 59399219) has the molecular formula C21H15F5N3O2Pt- and a molecular weight of 631.44 g/mol. Its IUPAC name is 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

• Compound Name: 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• PubChem CID: 59399219
• Molecular Formula: C21H15F5N3O2Pt-
• Molecular Weight: 631.44 g/mol
• Exact Mass: 631.07
• IUPAC Name: 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• SMILES: CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(C(F)(F)C(F)(F)F)nc2)n1.[Pt]
• InChI: InChI=1S/C21H15F5N3O2.Pt/c1-19(2,16-8-4-6-14(29-16)18(30)31)15-7-3-5-13(28-15)12-9-10-17(27-11-12)20(22,23)21(24,25)26;/h3-8,10-11H,1-2H3,(H,30,31);/q-1
• InChIKey: QFWUXWPRFBCTLO-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 75.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.44
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 59399219) is 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

What is the SMILES notation for 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The canonical SMILES for 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(C(F)(F)C(F)(F)F)nc2)n1.[Pt].

What is the InChIKey of 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The InChIKey is QFWUXWPRFBCTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N3O2.Pt/c1-19(2,16-8-4-6-14(29-16)18(30)31)15-7-3-5-13(28-15)12-9-10-17(27-11-12)20(22,23)21(24,25)26;/h3-8,10-11H,1-2H3,(H,30,31);/q-1;.

What are the key properties of 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 631.44 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-[6-(1,1,2,2,2-pentafluoroethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 59399219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).