zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride

C10H11Cl4N3Zn — CID 173454460

IUPACzinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride
SMILESN#[N+]c1ccc(N2CCCC2)c(Cl)c1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H11ClN3.3ClH.Zn/c11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;;;;/h3-4,7H,1-2,5-6H2;3*1H;/q+1;;;;+2/p-3
InChIKeyKCYWFUVRJOGRTC-UHFFFAOYSA-K
MW380.42 g/mol
LogP-5.57
Rot. Bonds1

About zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride

zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride (PubChem CID 173454460) has the molecular formula C10H11Cl4N3Zn and a molecular weight of 380.42 g/mol. Its IUPAC name is zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride.

Molecular Properties

Compound Namezinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride
PubChem CID173454460
Molecular FormulaC10H11Cl4N3Zn
Molecular Weight380.42 g/mol
Exact Mass376.90
IUPAC Namezinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride
SMILESN#[N+]c1ccc(N2CCCC2)c(Cl)c1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H11ClN3.3ClH.Zn/c11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;;;;/h3-4,7H,1-2,5-6H2;3*1H;/q+1;;;;+2/p-3
InChIKeyKCYWFUVRJOGRTC-UHFFFAOYSA-K
XLogP-5.57
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 5-5.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride?
The IUPAC name of zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride (CID 173454460) is zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride.
What is the SMILES notation for zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride?
The canonical SMILES for zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride is N#[N+]c1ccc(N2CCCC2)c(Cl)c1.[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride?
The InChIKey is KCYWFUVRJOGRTC-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H11ClN3.3ClH.Zn/c11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;;;;/h3-4,7H,1-2,5-6H2;3*1H;/q+1;;;;+2/p-3.
What are the key properties of zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride?
zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride has a molecular weight of 380.42 g/mol, XLogP of -5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3-chloro-4-pyrrolidin-1-ylbenzenediazonium;trichloride is sourced from PubChem (CID 173454460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).