6-chloro-2-iodopyridin-3-amine

• ChemBase ID: 54366
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: n1c(c(ccc1Cl)N)I
• Canonical SMILES: Clc1ccc(c(n1)I)N
• InChI: InChI=1S/C5H4ClIN2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
• InChIKey: CWPAZQRTFHRMQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-iodopyridin-3-amine
• IUPAC Traditional name: 6-chloro-2-iodopyridin-3-amine
• Synonyms: 6-Chloro-2-iodopyridin-3-amine

Database IDs

• CAS Number: 400777-06-2
• MDL Number: MFCD11044246
• PubChem SID: 162059129
• PubChem CID: 18407043

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7124014
• LogD (pH = 7.4): 1.7124014
• Log P: 1.7124014
• Molar Refractivity: 47.5382 cm^3
• Polarizability: 17.965433 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 147 °C; 146-147°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%