(5-amino-2-carboxyphenyl)mercury

C7H6HgNO2 — CID 3029231

IUPAC(5-amino-2-carboxyphenyl)mercury
SMILESNc1ccc(C(=O)O)c([Hg])c1
InChIInChI=1S/C7H6NO2.Hg/c8-6-3-1-5(2-4-6)7(9)10;/h1,3-4H,8H2,(H,9,10);
InChIKeyVQJABRCLVPSJJB-UHFFFAOYSA-N
MW336.72 g/mol
LogP0.14
Rot. Bonds1

About (5-amino-2-carboxyphenyl)mercury

(5-amino-2-carboxyphenyl)mercury (PubChem CID 3029231) has the molecular formula C7H6HgNO2 and a molecular weight of 336.72 g/mol. Its IUPAC name is (5-amino-2-carboxyphenyl)mercury.

Molecular Properties

Compound Name(5-amino-2-carboxyphenyl)mercury
PubChem CID3029231
Molecular FormulaC7H6HgNO2
Molecular Weight336.72 g/mol
Exact Mass338.01
IUPAC Name(5-amino-2-carboxyphenyl)mercury
SMILESNc1ccc(C(=O)O)c([Hg])c1
InChIInChI=1S/C7H6NO2.Hg/c8-6-3-1-5(2-4-6)7(9)10;/h1,3-4H,8H2,(H,9,10);
InChIKeyVQJABRCLVPSJJB-UHFFFAOYSA-N
XLogP0.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
cesium 5-amino-2-carboxyphenolate
CID 23674816
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
CID 131855870
CID 131855870
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
4-aminobenzoic acid;4-aminophthalic acid
CID 69300442
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
4-amino-2-(chloromethyl)benzoic acid
CID 18504952
4-amino-2-benzoylbenzoic acid
CID 21494601

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-carboxyphenyl)mercury?
The IUPAC name of (5-amino-2-carboxyphenyl)mercury (CID 3029231) is (5-amino-2-carboxyphenyl)mercury.
What is the SMILES notation for (5-amino-2-carboxyphenyl)mercury?
The canonical SMILES for (5-amino-2-carboxyphenyl)mercury is Nc1ccc(C(=O)O)c([Hg])c1.
What is the InChIKey of (5-amino-2-carboxyphenyl)mercury?
The InChIKey is VQJABRCLVPSJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2.Hg/c8-6-3-1-5(2-4-6)7(9)10;/h1,3-4H,8H2,(H,9,10);.
What are the key properties of (5-amino-2-carboxyphenyl)mercury?
(5-amino-2-carboxyphenyl)mercury has a molecular weight of 336.72 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-carboxyphenyl)mercury is sourced from PubChem (CID 3029231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).