2-chloropyridine-4-carboximidamide hydrochloride

• ChemBase ID: 53942
• Molecular Formular: C6H7Cl2N3
• Molecular Mass: 192.04588
• Monoisotopic Mass: 191.0017026
• SMILES: n1ccc(cc1Cl)C(=N)N.Cl
• Canonical SMILES: Clc1nccc(c1)C(=N)N.Cl
• InChI: InChI=1S/C6H6ClN3.ClH/c7-5-3-4(6(8)9)1-2-10-5;/h1-3H,(H3,8,9);1H
• InChIKey: RHZWWBACBWPWGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2-chloropyridine-4-carboximidamide hydrochloride
• Synonyms: 2-Chloro-isonicotinamidine hydrochloride; 2-chloropyridine-4-carboximidamide hydrochloride

Database IDs

• CAS Number: 82019-89-4
• MDL Number: MFCD11052370
• PubChem SID: 162058705
• PubChem CID: 50988634

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.913622
• LogD (pH = 7.4): -1.8053038
• Log P: 0.5002637
• Molar Refractivity: 51.4397 cm^3
• Polarizability: 15.081015 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 0.446

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%