N-cyclopropyl-3-iodopyridin-2-amine

• ChemBase ID: 297411
• Molecular Formular: C8H9IN2
• Molecular Mass: 260.07493
• Monoisotopic Mass: 259.9810463
• SMILES: c1cc(c(nc1)NC1CC1)I
• Canonical SMILES: Ic1cccnc1NC1CC1
• InChI: InChI=1S/C8H9IN2/c9-7-2-1-5-10-8(7)11-6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11)
• InChIKey: DCVVCOKJWFCGSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-iodopyridin-2-amine
• IUPAC Traditional name: N-cyclopropyl-3-iodopyridin-2-amine
• Synonyms: N-Cyclopropyl-3-iodo-2-pyridinamine; 2-Cyclopropylamino-3-iodopyridine; 2-环丙基氨基-3-碘吡啶

Database IDs

• CAS Number: 214074-22-3
• MDL Number: MFCD07781135
• PubChem SID: 180682942
• PubChem CID: 37030101

CALCULATED PROPERTIES

• Acid pKa: 19.19782
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0927453
• LogD (pH = 7.4): 2.2154856
• Log P: 2.217318
• Molar Refractivity: 54.9821 cm^3
• Polarizability: 20.548878 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 98%