2,5-dimethylbenzenediazonium chloride

C8H9ClN2 — CID 12583461

IUPAC2,5-dimethylbenzenediazonium chloride
SMILESCc1ccc(C)c([N+]#N)c1.[Cl-]
InChIInChI=1S/C8H9N2.ClH/c1-6-3-4-7(2)8(5-6)10-9;/h3-5H,1-2H3;1H/q+1;/p-1
InChIKeyPYGMYTCTDCBZEI-UHFFFAOYSA-M
MW168.63 g/mol
LogP-0.21
Rot. Bonds

About 2,5-dimethylbenzenediazonium chloride

2,5-dimethylbenzenediazonium chloride (PubChem CID 12583461) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2,5-dimethylbenzenediazonium chloride.

Molecular Properties

Compound Name2,5-dimethylbenzenediazonium chloride
PubChem CID12583461
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2,5-dimethylbenzenediazonium chloride
SMILESCc1ccc(C)c([N+]#N)c1.[Cl-]
InChIInChI=1S/C8H9N2.ClH/c1-6-3-4-7(2)8(5-6)10-9;/h3-5H,1-2H3;1H/q+1;/p-1
InChIKeyPYGMYTCTDCBZEI-UHFFFAOYSA-M
XLogP-0.21
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylbenzenediazonium chloride?
The IUPAC name of 2,5-dimethylbenzenediazonium chloride (CID 12583461) is 2,5-dimethylbenzenediazonium chloride.
What is the SMILES notation for 2,5-dimethylbenzenediazonium chloride?
The canonical SMILES for 2,5-dimethylbenzenediazonium chloride is Cc1ccc(C)c([N+]#N)c1.[Cl-].
What is the InChIKey of 2,5-dimethylbenzenediazonium chloride?
The InChIKey is PYGMYTCTDCBZEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9N2.ClH/c1-6-3-4-7(2)8(5-6)10-9;/h3-5H,1-2H3;1H/q+1;/p-1.
What are the key properties of 2,5-dimethylbenzenediazonium chloride?
2,5-dimethylbenzenediazonium chloride has a molecular weight of 168.63 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylbenzenediazonium chloride is sourced from PubChem (CID 12583461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).