zinc;N,N-dimethylpyridin-4-amine;dichloride

C7H10Cl2N2Zn — CID 175706220

IUPACzinc;N,N-dimethylpyridin-4-amine;dichloride
SMILESCN(C)c1ccncc1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C7H10N2.2ClH.Zn/c1-9(2)7-3-5-8-6-4-7;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyVHFFWKNFKZEUKT-UHFFFAOYSA-L
MW258.47 g/mol
LogP-4.85
Rot. Bonds1

About zinc;N,N-dimethylpyridin-4-amine;dichloride

zinc;N,N-dimethylpyridin-4-amine;dichloride (PubChem CID 175706220) has the molecular formula C7H10Cl2N2Zn and a molecular weight of 258.47 g/mol. Its IUPAC name is zinc;N,N-dimethylpyridin-4-amine;dichloride.

Molecular Properties

Compound Namezinc;N,N-dimethylpyridin-4-amine;dichloride
PubChem CID175706220
Molecular FormulaC7H10Cl2N2Zn
Molecular Weight258.47 g/mol
Exact Mass255.95
IUPAC Namezinc;N,N-dimethylpyridin-4-amine;dichloride
SMILESCN(C)c1ccncc1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C7H10N2.2ClH.Zn/c1-9(2)7-3-5-8-6-4-7;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyVHFFWKNFKZEUKT-UHFFFAOYSA-L
XLogP-4.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 5-4.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;N,N-dimethylpyridin-4-amine;dichloride?
The IUPAC name of zinc;N,N-dimethylpyridin-4-amine;dichloride (CID 175706220) is zinc;N,N-dimethylpyridin-4-amine;dichloride.
What is the SMILES notation for zinc;N,N-dimethylpyridin-4-amine;dichloride?
The canonical SMILES for zinc;N,N-dimethylpyridin-4-amine;dichloride is CN(C)c1ccncc1.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;N,N-dimethylpyridin-4-amine;dichloride?
The InChIKey is VHFFWKNFKZEUKT-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H10N2.2ClH.Zn/c1-9(2)7-3-5-8-6-4-7;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;N,N-dimethylpyridin-4-amine;dichloride?
zinc;N,N-dimethylpyridin-4-amine;dichloride has a molecular weight of 258.47 g/mol, XLogP of -4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;N,N-dimethylpyridin-4-amine;dichloride is sourced from PubChem (CID 175706220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).