2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)

C31H32MnN2O9+2 — CID 54605162

About 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)

2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate) (PubChem CID 54605162) has the molecular formula C31H32MnN2O9+2 and a molecular weight of 631.54 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate).

Molecular Properties

• Compound Name: 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)
• PubChem CID: 54605162
• Molecular Formula: C31H32MnN2O9+2
• Molecular Weight: 631.54 g/mol
• Exact Mass: 631.15
• IUPAC Name: 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)
• SMILES: CN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[OH2+].O=C([O-])c1ccccc1[OH2+].[Mn+2]
• InChI: InChI=1S/C10H14N2.3C7H6O3.Mn/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;3*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;3*1-4,8H,(H,9,10);/q;;;;+2
• InChIKey: QWRJNWCHYPGFDW-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 199.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.54
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)?

The IUPAC name of 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate) (CID 54605162) is 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate).

What is the SMILES notation for 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)?

The canonical SMILES for 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate) is CN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[OH2+].O=C([O-])c1ccccc1[OH2+].[Mn+2].

What is the InChIKey of 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)?

The InChIKey is QWRJNWCHYPGFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.3C7H6O3.Mn/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;3*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;3*1-4,8H,(H,9,10);/q;;;;+2.

What are the key properties of 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)?

2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate) has a molecular weight of 631.54 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate) is sourced from PubChem (CID 54605162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).