4,6-dichloropyridin-2-amine

• ChemBase ID: 67675
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: c1(cc(cc(n1)Cl)Cl)N
• Canonical SMILES: Clc1cc(N)nc(c1)Cl
• InChI: InChI=1S/C5H4Cl2N2/c6-3-1-4(7)9-5(8)2-3/h1-2H,(H2,8,9)
• InChIKey: AGJMDETXSYICGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloropyridin-2-amine
• IUPAC Traditional name: 4,6-dichloropyridin-2-amine
• Synonyms: 2-Amino-4,6-dichloropyridine; 4,6-Dichloropyridin-2-amine

Database IDs

• CAS Number: 116632-24-7
• MDL Number: MFCD04037218
• PubChem SID: 162033410
• PubChem CID: 5316649

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9492764
• LogD (pH = 7.4): 1.9493703
• Log P: 1.9493715
• Molar Refractivity: 39.5859 cm^3
• Polarizability: 14.466464 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%