2-chloro-6-iodopyridin-3-amine

• ChemBase ID: 32537
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: c1c(nc(c(c1)N)Cl)I
• Canonical SMILES: Ic1ccc(c(n1)Cl)N
• InChI: InChI=1S/C5H4ClIN2/c6-5-3(8)1-2-4(7)9-5/h1-2H,8H2
• InChIKey: LXHPKNMJRJBWRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1032507-20-2
• MDL Number: MFCD11044245
• PubChem SID: 160995844
• PubChem CID: 46736777

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: 17.971981 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 340°C
• Density: 2.139
• Refractive Index: 1.708

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

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

DETAILS

Sigma Aldrich - ADE000546

Other Notes
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