chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury

C6H3Cl2Hg2NO3 — CID 66988082

IUPACchloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury
SMILESO=[N+]([O-])c1ccc(O)c([Hg]Cl)c1[Hg]Cl
InChIInChI=1S/C6H3NO3.2ClH.2Hg/c8-6-3-1-5(2-4-6)7(9)10;;;;/h1,3,8H;2*1H;;/q;;;2*+1/p-2
InChIKeyCDWOBPWVMLKIDK-UHFFFAOYSA-L
MW609.18 g/mol
LogP1.02
Rot. Bonds3

About chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury

chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury (PubChem CID 66988082) has the molecular formula C6H3Cl2Hg2NO3 and a molecular weight of 609.18 g/mol. Its IUPAC name is chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury.

Molecular Properties

Compound Namechloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury
PubChem CID66988082
Molecular FormulaC6H3Cl2Hg2NO3
Molecular Weight609.18 g/mol
Exact Mass610.89
IUPAC Namechloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury
SMILESO=[N+]([O-])c1ccc(O)c([Hg]Cl)c1[Hg]Cl
InChIInChI=1S/C6H3NO3.2ClH.2Hg/c8-6-3-1-5(2-4-6)7(9)10;;;;/h1,3,8H;2*1H;;/q;;;2*+1/p-2
InChIKeyCDWOBPWVMLKIDK-UHFFFAOYSA-L
XLogP1.02
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
4-hydroxy-3-nitrobenzenesulfonyl chloride
CID 3670479
1,4,5-trihydroxy-8-nitroanthracene-9,10-dione
CID 3116509
azane;2,4-dinitrophenol;hydrate
CID 174664401
2,4-dinitrobenzene-1,3-diol;iron(2+)
CID 88924073
2-chloro-3-hydroxy-6-nitrobenzaldehyde
CID 13147354
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
2-methyl-4-nitrobenzene-1,3-diol;hydrochloride
CID 174916227
copper;1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione
CID 174738241
5-[2-(4-hydroxy-3-nitrophenyl)ethynyl]-2-nitrophenol
CID 139639931
2-amino-3-methyl-4-nitrophenol
CID 86240740

Frequently Asked Questions

What is the IUPAC name of chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury?
The IUPAC name of chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury (CID 66988082) is chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury.
What is the SMILES notation for chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury?
The canonical SMILES for chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury is O=[N+]([O-])c1ccc(O)c([Hg]Cl)c1[Hg]Cl.
What is the InChIKey of chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury?
The InChIKey is CDWOBPWVMLKIDK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H3NO3.2ClH.2Hg/c8-6-3-1-5(2-4-6)7(9)10;;;;/h1,3,8H;2*1H;;/q;;;2*+1/p-2.
What are the key properties of chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury?
chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury has a molecular weight of 609.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-(chloromercurio)-3-hydroxy-6-nitrophenyl]mercury is sourced from PubChem (CID 66988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).