5-aminobenzene-1,3-dicarboxylic acid;zinc

C8H7NO4Zn — CID 174938502

IUPAC5-aminobenzene-1,3-dicarboxylic acid;zinc
SMILESNc1cc(C(=O)O)cc(C(=O)O)c1.[Zn]
InChIInChI=1S/C8H7NO4.Zn/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);
InChIKeyLFRQMUSQBZUZGU-UHFFFAOYSA-N
MW246.54 g/mol
LogP0.66
Rot. Bonds2

About 5-aminobenzene-1,3-dicarboxylic acid;zinc

5-aminobenzene-1,3-dicarboxylic acid;zinc (PubChem CID 174938502) has the molecular formula C8H7NO4Zn and a molecular weight of 246.54 g/mol. Its IUPAC name is 5-aminobenzene-1,3-dicarboxylic acid;zinc.

Molecular Properties

Compound Name5-aminobenzene-1,3-dicarboxylic acid;zinc
PubChem CID174938502
Molecular FormulaC8H7NO4Zn
Molecular Weight246.54 g/mol
Exact Mass244.97
IUPAC Name5-aminobenzene-1,3-dicarboxylic acid;zinc
SMILESNc1cc(C(=O)O)cc(C(=O)O)c1.[Zn]
InChIInChI=1S/C8H7NO4.Zn/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);
InChIKeyLFRQMUSQBZUZGU-UHFFFAOYSA-N
XLogP0.66
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.54
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;5-aminobenzene-1,3-dicarboxylic acid;hydride
CID 173081060
5-aminobenzene-1,3-dicarboxylic acid;benzene-1,4-diamine
CID 142851105
3,5-diaminobenzoic acid;hydrochloride
CID 43835047
3-amino-5-carbonoperoxoylbenzoic acid
CID 58876276
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
5-aminobenzene-1,3-dicarboxylic acid;5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
CID 159545650
3-amino-5-phosphonobenzoic acid
CID 129396630
3-amino-5-hydroxybenzoic acid;fluoromethane
CID 143667983
benzene-1,3,5-tricarboxylic acid;cerium;thorium
CID 175461142

Frequently Asked Questions

What is the IUPAC name of 5-aminobenzene-1,3-dicarboxylic acid;zinc?
The IUPAC name of 5-aminobenzene-1,3-dicarboxylic acid;zinc (CID 174938502) is 5-aminobenzene-1,3-dicarboxylic acid;zinc.
What is the SMILES notation for 5-aminobenzene-1,3-dicarboxylic acid;zinc?
The canonical SMILES for 5-aminobenzene-1,3-dicarboxylic acid;zinc is Nc1cc(C(=O)O)cc(C(=O)O)c1.[Zn].
What is the InChIKey of 5-aminobenzene-1,3-dicarboxylic acid;zinc?
The InChIKey is LFRQMUSQBZUZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.Zn/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);.
What are the key properties of 5-aminobenzene-1,3-dicarboxylic acid;zinc?
5-aminobenzene-1,3-dicarboxylic acid;zinc has a molecular weight of 246.54 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminobenzene-1,3-dicarboxylic acid;zinc is sourced from PubChem (CID 174938502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).