6-chloropyridine-3-carboximidamide hydrochloride

• ChemBase ID: 53969
• Molecular Formular: C6H7Cl2N3
• Molecular Mass: 192.04588
• Monoisotopic Mass: 191.0017026
• SMILES: n1cc(ccc1Cl)C(=N)N.Cl
• Canonical SMILES: Clc1ccc(cn1)C(=N)N.Cl
• InChI: InChI=1S/C6H6ClN3.ClH/c7-5-2-1-4(3-10-5)6(8)9;/h1-3H,(H3,8,9);1H
• InChIKey: YGTYZKOUHZFTMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyridine-3-carboximidamide hydrochloride
• IUPAC Traditional name: 6-chloropyridine-3-carboximidamide hydrochloride
• Synonyms: 6-Chloronicotinamidine hydrochloride; 6-chloropyridine-3-carboximidamide hydrochloride; 6-Chloronicotinimidamide hydrochloride

Database IDs

• CAS Number: 201937-23-7
• MDL Number: MFCD11052371
• PubChem SID: 162058732
• PubChem CID: 50988638

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9125544
• LogD (pH = 7.4): -1.7438904
• Log P: 0.5002637
• Molar Refractivity: 51.4397 cm^3
• Polarizability: 15.08155 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.446

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%