zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione

C6H2Cl2O4Zn+2 — CID 54609986

IUPACzinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
SMILESO=C1C(O)=C(Cl)C(=O)C(O)=C1Cl.[Zn+2]
InChIInChI=1S/C6H2Cl2O4.Zn/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+2
InChIKeyAWGIQIYKBYRIMQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.15
Rot. Bonds

About zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione

zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione (PubChem CID 54609986) has the molecular formula C6H2Cl2O4Zn+2 and a molecular weight of 274.37 g/mol. Its IUPAC name is zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Namezinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
PubChem CID54609986
Molecular FormulaC6H2Cl2O4Zn+2
Molecular Weight274.37 g/mol
Exact Mass271.86
IUPAC Namezinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
SMILESO=C1C(O)=C(Cl)C(=O)C(O)=C1Cl.[Zn+2]
InChIInChI=1S/C6H2Cl2O4.Zn/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+2
InChIKeyAWGIQIYKBYRIMQ-UHFFFAOYSA-N
XLogP1.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
The IUPAC name of zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione (CID 54609986) is zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione is O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl.[Zn+2].
What is the InChIKey of zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
The InChIKey is AWGIQIYKBYRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2O4.Zn/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+2.
What are the key properties of zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione has a molecular weight of 274.37 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 54609986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).