zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride

C7H8Cl2N2O2Zn — CID 158699710

IUPACzinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride
SMILESCOC1=C(O)C=CC(=[N+]=[N-])C1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C7H8N2O2.2ClH.Zn/c1-11-7-4-5(9-8)2-3-6(7)10;;;/h2-3,10H,4H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyIHJRMSSQMDMBIL-UHFFFAOYSA-L
MW288.45 g/mol
LogP-4.96
Rot. Bonds1

About zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride

zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride (PubChem CID 158699710) has the molecular formula C7H8Cl2N2O2Zn and a molecular weight of 288.45 g/mol. Its IUPAC name is zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride.

Molecular Properties

Compound Namezinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride
PubChem CID158699710
Molecular FormulaC7H8Cl2N2O2Zn
Molecular Weight288.45 g/mol
Exact Mass285.93
IUPAC Namezinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride
SMILESCOC1=C(O)C=CC(=[N+]=[N-])C1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C7H8N2O2.2ClH.Zn/c1-11-7-4-5(9-8)2-3-6(7)10;;;/h2-3,10H,4H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyIHJRMSSQMDMBIL-UHFFFAOYSA-L
XLogP-4.96
TPSA65.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 5-4.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-Diazo-2-methoxycyclohexa-1,5-dien-1-ol
CID 145804549
ZINC;5-diazo-2-methoxycyclohexa-1,3-diene;dichloride
CID 158874390

Frequently Asked Questions

What is the IUPAC name of zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride?
The IUPAC name of zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride (CID 158699710) is zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride.
What is the SMILES notation for zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride?
The canonical SMILES for zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride is COC1=C(O)C=CC(=[N+]=[N-])C1.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride?
The InChIKey is IHJRMSSQMDMBIL-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8N2O2.2ClH.Zn/c1-11-7-4-5(9-8)2-3-6(7)10;;;/h2-3,10H,4H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride?
zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride has a molecular weight of 288.45 g/mol, XLogP of -4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-diazo-2-methoxycyclohexa-1,5-dien-1-ol;dichloride is sourced from PubChem (CID 158699710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).