2-chloro-3-iodopyridin-4-amine

• ChemBase ID: 23786
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: c1cnc(c(c1N)I)Cl
• Canonical SMILES: Nc1ccnc(c1I)Cl
• InChI: InChI=1S/C5H4ClIN2/c6-5-4(7)3(8)1-2-9-5/h1-2H,(H2,8,9)
• InChIKey: BYVMKCHHWASQFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-iodopyridin-4-amine
• IUPAC Traditional name: 2-chloro-3-iodopyridin-4-amine
• Synonyms: 2-Chloro-3-iodopyridin-4-amine; 2-chloro-3-iodo-4-pyridinamine; 4-Amino-2-chloro-3-iodopyridine; 2-Chloro-3-iodopyridin-4-amine; 2-Chloro-3-iodo-4-pyridinamine; 4-Amino-2-chloro-3-iodopyridine; 2-Chloro-3-iodopyridin-4-amine

Database IDs

• CAS Number: 909036-46-0
• MDL Number: MFCD09763660
• PubChem SID: 160987093
• PubChem CID: 24229208

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6744573
• LogD (pH = 7.4): 1.6797459
• Log P: 1.6798137
• Molar Refractivity: 47.8301 cm^3
• Polarizability: 17.914383 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116 - 117 °C; 116-117°C

Safety Information

• Storage Warning: IRRITANT; Light Sensitive; Toxic/Harmful/Light Sensitive/Store under Argon
• European Hazard Symbols: X
• Risk Statements: 21/22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: >95%; 95%; 97%
• Empirical Formula (Hill Notation): C5H4ClIN2

DETAILS

Sigma Aldrich - ADE000415

Other Notes
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