2-chloro-5-iodopyridin-4-amine

• ChemBase ID: 45195
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: c1c(c(cnc1Cl)I)N
• Canonical SMILES: Clc1ncc(c(c1)N)I
• InChI: InChI=1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
• InChIKey: DEJUUKULVAIMNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-iodopyridin-4-amine
• IUPAC Traditional name: 2-chloro-5-iodopyridin-4-amine
• Synonyms: 2-Chloro-5-iodo-4-pyridinamine; 4-Amino-2-chloro-5-iodopyridine; 2-Chloro-5-iodo-4-pyridinamine

Database IDs

• CAS Number: 800402-12-4
• MDL Number: MFCD09834661
• PubChem SID: 162049958
• PubChem CID: 45480366

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6762463
• LogD (pH = 7.4): 1.6797687
• Log P: 1.6798137
• Molar Refractivity: 47.8301 cm^3
• Polarizability: 17.898115 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 127 °C; 126-127°C; 126-127°C

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 95%