manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)

C30H20F6MnN2O4 — CID 139056918

About manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)

manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) (PubChem CID 139056918) has the molecular formula C30H20F6MnN2O4 and a molecular weight of 641.43 g/mol. Its IUPAC name is manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate).

Molecular Properties

• Compound Name: manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
• PubChem CID: 139056918
• Molecular Formula: C30H20F6MnN2O4
• Molecular Weight: 641.43 g/mol
• Exact Mass: 641.07
• IUPAC Name: manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
• SMILES: O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.[Mn+2].c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C10H7F3O2.C10H8N2.Mn/c2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-6,15H;1-8H;/q;;;+2/p-2/b2*9-6-
• InChIKey: HEKWHJPARSORRH-PVXGPFAVSA-L
• XLogP: 5.49
• TPSA: 106.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.43
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)?

The IUPAC name of manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) (CID 139056918) is manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate).

What is the SMILES notation for manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)?

The canonical SMILES for manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) is O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.[Mn+2].c1ccc(-c2ccccn2)nc1.

What is the InChIKey of manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)?

The InChIKey is HEKWHJPARSORRH-PVXGPFAVSA-L. The full InChI is InChI=1S/2C10H7F3O2.C10H8N2.Mn/c2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-6,15H;1-8H;/q;;;+2/p-2/b2*9-6-;;.

What are the key properties of manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)?

manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) has a molecular weight of 641.43 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) is sourced from PubChem (CID 139056918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).