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

C15H17Cl4N3NbO-4 — CID 139058497

IUPACniobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Nb].[O-2].c1cc[nH+]cc1.c1cc[nH+]cc1.c1ccncc1
InChIInChI=1S/3C5H5N.4ClH.Nb.O/c3*1-2-4-6-5-3-1;;;;;;/h3*1-5H;4*1H;;/q;;;;;;;;-2/p-2
InChIKeyLARRSEXMMREVCY-UHFFFAOYSA-L
MW490.04 g/mol
LogP-10.02
Rot. Bonds

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 Nameniobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride
PubChem CID139058497
Molecular FormulaC15H17Cl4N3NbO-4
Molecular Weight490.04 g/mol
Exact Mass487.92
IUPAC Nameniobium;oxygen(2-);pyridine;bis(pyridin-1-ium);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Nb].[O-2].c1cc[nH+]cc1.c1cc[nH+]cc1.c1ccncc1
InChIInChI=1S/3C5H5N.4ClH.Nb.O/c3*1-2-4-6-5-3-1;;;;;;/h3*1-5H;4*1H;;/q;;;;;;;;-2/p-2
InChIKeyLARRSEXMMREVCY-UHFFFAOYSA-L
XLogP-10.02
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.04
LogP ≤ 5-10.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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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).