pyrene-1-diazonium chloride

C16H9ClN2 — CID 160801716

IUPACpyrene-1-diazonium chloride
SMILESN#[N+]c1ccc2ccc3cccc4ccc1c2c34.[Cl-]
InChIInChI=1S/C16H9N2.ClH/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;/h1-9H;1H/q+1;/p-1
InChIKeySDDUWWFGMFYHBL-UHFFFAOYSA-M
MW264.72 g/mol
LogP2.07
Rot. Bonds

About pyrene-1-diazonium chloride

pyrene-1-diazonium chloride (PubChem CID 160801716) has the molecular formula C16H9ClN2 and a molecular weight of 264.72 g/mol. Its IUPAC name is pyrene-1-diazonium chloride.

Molecular Properties

Compound Namepyrene-1-diazonium chloride
PubChem CID160801716
Molecular FormulaC16H9ClN2
Molecular Weight264.72 g/mol
Exact Mass264.05
IUPAC Namepyrene-1-diazonium chloride
SMILESN#[N+]c1ccc2ccc3cccc4ccc1c2c34.[Cl-]
InChIInChI=1S/C16H9N2.ClH/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;/h1-9H;1H/q+1;/p-1
InChIKeySDDUWWFGMFYHBL-UHFFFAOYSA-M
XLogP2.07
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrene-1-diazonium chloride?
The IUPAC name of pyrene-1-diazonium chloride (CID 160801716) is pyrene-1-diazonium chloride.
What is the SMILES notation for pyrene-1-diazonium chloride?
The canonical SMILES for pyrene-1-diazonium chloride is N#[N+]c1ccc2ccc3cccc4ccc1c2c34.[Cl-].
What is the InChIKey of pyrene-1-diazonium chloride?
The InChIKey is SDDUWWFGMFYHBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H9N2.ClH/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;/h1-9H;1H/q+1;/p-1.
What are the key properties of pyrene-1-diazonium chloride?
pyrene-1-diazonium chloride has a molecular weight of 264.72 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene-1-diazonium chloride is sourced from PubChem (CID 160801716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).