lithium;nickel(2+);borate

BLiNiO3 — CID 174688096

IUPAClithium;nickel(2+);borate
SMILES[Li+].[Ni+2].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Li.Ni/c2-1(3)4;;/q-3;+1;+2
InChIKeyKHWVZNYOSQGKJP-UHFFFAOYSA-N
MW124.44 g/mol
LogP-6.95
Rot. Bonds

About lithium;nickel(2+);borate

lithium;nickel(2+);borate (PubChem CID 174688096) has the molecular formula BLiNiO3 and a molecular weight of 124.44 g/mol. Its IUPAC name is lithium;nickel(2+);borate.

Molecular Properties

Compound Namelithium;nickel(2+);borate
PubChem CID174688096
Molecular FormulaBLiNiO3
Molecular Weight124.44 g/mol
Exact Mass123.95
IUPAC Namelithium;nickel(2+);borate
SMILES[Li+].[Ni+2].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Li.Ni/c2-1(3)4;;/q-3;+1;+2
InChIKeyKHWVZNYOSQGKJP-UHFFFAOYSA-N
XLogP-6.95
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.44
LogP ≤ 5-6.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;lithium;borate
CID 139040925
lithium;hydron;borate
CID 173006670
tetraaluminum;triborate;trihydroxide
CID 173042860
lithium;strontium;terbium(3+);diborate
CID 174824289
barium(2+);titanium;borate;tetrahydroxide
CID 22597291
nonacalcium;pentalithium;heptaborate;difluoride
CID 139139491
dilithium;sodium;yttrium(3+);diborate
CID 175358271
trisulfanium;borate
CID 22561123
dibismuth diborate
CID 159089298
tetraborate;pentahydrate
CID 18463322
dialuminum diborate
CID 22359065
tetrakis(ytterbium(3+));tetraborate
CID 158376786

Frequently Asked Questions

What is the IUPAC name of lithium;nickel(2+);borate?
The IUPAC name of lithium;nickel(2+);borate (CID 174688096) is lithium;nickel(2+);borate.
What is the SMILES notation for lithium;nickel(2+);borate?
The canonical SMILES for lithium;nickel(2+);borate is [Li+].[Ni+2].[O-]B([O-])[O-].
What is the InChIKey of lithium;nickel(2+);borate?
The InChIKey is KHWVZNYOSQGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.Li.Ni/c2-1(3)4;;/q-3;+1;+2.
What are the key properties of lithium;nickel(2+);borate?
lithium;nickel(2+);borate has a molecular weight of 124.44 g/mol, XLogP of -6.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;nickel(2+);borate is sourced from PubChem (CID 174688096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).