dilithium;niobium;carbonate

CLi2NbO3 — CID 174670751

IUPACdilithium;niobium;carbonate
SMILESO=C([O-])[O-].[Li+].[Li+].[Nb]
InChIInChI=1S/CH2O3.2Li.Nb/c2-1(3)4;;;/h(H2,2,3,4);;;/q;2*+1;/p-2
InChIKeyPHVDQXZNLNYQNZ-UHFFFAOYSA-L
MW166.80 g/mol
LogP-8.44
Rot. Bonds

About dilithium;niobium;carbonate

dilithium;niobium;carbonate (PubChem CID 174670751) has the molecular formula CLi2NbO3 and a molecular weight of 166.80 g/mol. Its IUPAC name is dilithium;niobium;carbonate.

Molecular Properties

Compound Namedilithium;niobium;carbonate
PubChem CID174670751
Molecular FormulaCLi2NbO3
Molecular Weight166.80 g/mol
Exact Mass166.92
IUPAC Namedilithium;niobium;carbonate
SMILESO=C([O-])[O-].[Li+].[Li+].[Nb]
InChIInChI=1S/CH2O3.2Li.Nb/c2-1(3)4;;;/h(H2,2,3,4);;;/q;2*+1;/p-2
InChIKeyPHVDQXZNLNYQNZ-UHFFFAOYSA-L
XLogP-8.44
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.80
LogP ≤ 5-8.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dilithium;niobium;carbonate?
The IUPAC name of dilithium;niobium;carbonate (CID 174670751) is dilithium;niobium;carbonate.
What is the SMILES notation for dilithium;niobium;carbonate?
The canonical SMILES for dilithium;niobium;carbonate is O=C([O-])[O-].[Li+].[Li+].[Nb].
What is the InChIKey of dilithium;niobium;carbonate?
The InChIKey is PHVDQXZNLNYQNZ-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.2Li.Nb/c2-1(3)4;;;/h(H2,2,3,4);;;/q;2*+1;/p-2.
What are the key properties of dilithium;niobium;carbonate?
dilithium;niobium;carbonate has a molecular weight of 166.80 g/mol, XLogP of -8.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;niobium;carbonate is sourced from PubChem (CID 174670751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).