zinc;phosphoric acid;1H-pyrrole;dichloride

C4H8Cl2NO4PZn — CID 174905379

IUPACzinc;phosphoric acid;1H-pyrrole;dichloride
SMILESO=P(O)(O)O.[Cl-].[Cl-].[Zn+2].c1cc[nH]c1
InChIInChI=1S/C4H5N.2ClH.H3O4P.Zn/c1-2-4-5-3-1;;;1-5(2,3)4;/h1-5H;2*1H;(H3,1,2,3,4);/q;;;;+2/p-2
InChIKeyOJGPBPGRJGEDAE-UHFFFAOYSA-L
MW301.38 g/mol
LogP-5.91
Rot. Bonds

About zinc;phosphoric acid;1H-pyrrole;dichloride

zinc;phosphoric acid;1H-pyrrole;dichloride (PubChem CID 174905379) has the molecular formula C4H8Cl2NO4PZn and a molecular weight of 301.38 g/mol. Its IUPAC name is zinc;phosphoric acid;1H-pyrrole;dichloride.

Molecular Properties

Compound Namezinc;phosphoric acid;1H-pyrrole;dichloride
PubChem CID174905379
Molecular FormulaC4H8Cl2NO4PZn
Molecular Weight301.38 g/mol
Exact Mass298.89
IUPAC Namezinc;phosphoric acid;1H-pyrrole;dichloride
SMILESO=P(O)(O)O.[Cl-].[Cl-].[Zn+2].c1cc[nH]c1
InChIInChI=1S/C4H5N.2ClH.H3O4P.Zn/c1-2-4-5-3-1;;;1-5(2,3)4;/h1-5H;2*1H;(H3,1,2,3,4);/q;;;;+2/p-2
InChIKeyOJGPBPGRJGEDAE-UHFFFAOYSA-L
XLogP-5.91
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 5-5.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of zinc;phosphoric acid;1H-pyrrole;dichloride?
The IUPAC name of zinc;phosphoric acid;1H-pyrrole;dichloride (CID 174905379) is zinc;phosphoric acid;1H-pyrrole;dichloride.
What is the SMILES notation for zinc;phosphoric acid;1H-pyrrole;dichloride?
The canonical SMILES for zinc;phosphoric acid;1H-pyrrole;dichloride is O=P(O)(O)O.[Cl-].[Cl-].[Zn+2].c1cc[nH]c1.
What is the InChIKey of zinc;phosphoric acid;1H-pyrrole;dichloride?
The InChIKey is OJGPBPGRJGEDAE-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H5N.2ClH.H3O4P.Zn/c1-2-4-5-3-1;;;1-5(2,3)4;/h1-5H;2*1H;(H3,1,2,3,4);/q;;;;+2/p-2.
What are the key properties of zinc;phosphoric acid;1H-pyrrole;dichloride?
zinc;phosphoric acid;1H-pyrrole;dichloride has a molecular weight of 301.38 g/mol, XLogP of -5.91, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;phosphoric acid;1H-pyrrole;dichloride is sourced from PubChem (CID 174905379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).