bis(2-aminobenzoic acid);nickel

C14H14N2NiO4 — CID 73156847

IUPACbis(2-aminobenzoic acid);nickel
SMILESNc1ccccc1C(=O)O.Nc1ccccc1C(=O)O.[Ni]
InChIInChI=1S/2C7H7NO2.Ni/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,8H2,(H,9,10);
InChIKeyWXVBRNBEEQWNJB-UHFFFAOYSA-N
MW332.97 g/mol
LogP1.93
Rot. Bonds2

About bis(2-aminobenzoic acid);nickel

bis(2-aminobenzoic acid);nickel (PubChem CID 73156847) has the molecular formula C14H14N2NiO4 and a molecular weight of 332.97 g/mol. Its IUPAC name is bis(2-aminobenzoic acid);nickel.

Molecular Properties

Compound Namebis(2-aminobenzoic acid);nickel
PubChem CID73156847
Molecular FormulaC14H14N2NiO4
Molecular Weight332.97 g/mol
Exact Mass332.03
IUPAC Namebis(2-aminobenzoic acid);nickel
SMILESNc1ccccc1C(=O)O.Nc1ccccc1C(=O)O.[Ni]
InChIInChI=1S/2C7H7NO2.Ni/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,8H2,(H,9,10);
InChIKeyWXVBRNBEEQWNJB-UHFFFAOYSA-N
XLogP1.93
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.97
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminobenzoic acid);nickel?
The IUPAC name of bis(2-aminobenzoic acid);nickel (CID 73156847) is bis(2-aminobenzoic acid);nickel.
What is the SMILES notation for bis(2-aminobenzoic acid);nickel?
The canonical SMILES for bis(2-aminobenzoic acid);nickel is Nc1ccccc1C(=O)O.Nc1ccccc1C(=O)O.[Ni].
What is the InChIKey of bis(2-aminobenzoic acid);nickel?
The InChIKey is WXVBRNBEEQWNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7NO2.Ni/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,8H2,(H,9,10);.
What are the key properties of bis(2-aminobenzoic acid);nickel?
bis(2-aminobenzoic acid);nickel has a molecular weight of 332.97 g/mol, XLogP of 1.93, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminobenzoic acid);nickel is sourced from PubChem (CID 73156847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).