Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride

C₁₅H₁₇Cl₄N₃NbO-4 — CID 139058497

About Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride

Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride (PubChem CID 139058497) has the molecular formula C₁₅H₁₇Cl₄N₃NbO-4 and a molecular weight of 490.04 g/mol. Its IUPAC name is niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride.

Molecular Properties

• Compound Name: Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride
• PubChem CID: 139058497
• Molecular Formula: C₁₅H₁₇Cl₄N₃NbO-4
• Molecular Weight: 490.04 g/mol
• Exact Mass: 487.92
• IUPAC Name: niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Nb].[O-2].c1cc[nH+]cc1.c1cc[nH+]cc1.c1ccncc1
• InChI: InChI=1S/3C5H5N.4ClH.Nb.O/c3*1-2-4-6-5-3-1;;;;;;/h3*1-5H;4*1H;;/q;;;;;;;;-2/p-2
• InChIKey: LARRSEXMMREVCY-UHFFFAOYSA-L
• XLogP: -10.02
• TPSA: 69.67 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.04
LogP ≤ 5	-10.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride?

The IUPAC name of Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride (CID 139058497) is niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride.

What is the SMILES notation for Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride?

The canonical SMILES for Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Nb].[O-2].c1cc[nH+]cc1.c1cc[nH+]cc1.c1ccncc1.

What is the InChIKey of Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride?

The InChIKey is LARRSEXMMREVCY-UHFFFAOYSA-L. The full InChI is InChI=1S/3C5H5N.4ClH.Nb.O/c3*1-2-4-6-5-3-1;;;;;;/h3*1-5H;4*1H;;/q;;;;;;;;-2/p-2.

What are the key properties of Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride?

Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride has a molecular weight of 490.04 g/mol, XLogP of -10.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Niobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride is sourced from PubChem (CID 139058497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139058497 — identifiers, structure, computed properties (public domain)

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