methanolate;nickel(2+);nitrate

CH3NNiO4 — CID 175513205

IUPACmethanolate;nickel(2+);nitrate
SMILESC[O-].O=[N+]([O-])[O-].[Ni+2]
InChIInChI=1S/CH3O.NO3.Ni/c1-2;2-1(3)4;/h1H3;;/q2*-1;+2
InChIKeyPTNJDNWRPOVNOD-UHFFFAOYSA-N
MW151.73 g/mol
LogP-1.27
Rot. Bonds

About methanolate;nickel(2+);nitrate

methanolate;nickel(2+);nitrate (PubChem CID 175513205) has the molecular formula CH3NNiO4 and a molecular weight of 151.73 g/mol. Its IUPAC name is methanolate;nickel(2+);nitrate.

Molecular Properties

Compound Namemethanolate;nickel(2+);nitrate
PubChem CID175513205
Molecular FormulaCH3NNiO4
Molecular Weight151.73 g/mol
Exact Mass150.94
IUPAC Namemethanolate;nickel(2+);nitrate
SMILESC[O-].O=[N+]([O-])[O-].[Ni+2]
InChIInChI=1S/CH3O.NO3.Ni/c1-2;2-1(3)4;/h1H3;;/q2*-1;+2
InChIKeyPTNJDNWRPOVNOD-UHFFFAOYSA-N
XLogP-1.27
TPSA89.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.73
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanolate;nickel(2+);nitrate?
The IUPAC name of methanolate;nickel(2+);nitrate (CID 175513205) is methanolate;nickel(2+);nitrate.
What is the SMILES notation for methanolate;nickel(2+);nitrate?
The canonical SMILES for methanolate;nickel(2+);nitrate is C[O-].O=[N+]([O-])[O-].[Ni+2].
What is the InChIKey of methanolate;nickel(2+);nitrate?
The InChIKey is PTNJDNWRPOVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O.NO3.Ni/c1-2;2-1(3)4;/h1H3;;/q2*-1;+2.
What are the key properties of methanolate;nickel(2+);nitrate?
methanolate;nickel(2+);nitrate has a molecular weight of 151.73 g/mol, XLogP of -1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;nickel(2+);nitrate is sourced from PubChem (CID 175513205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).