3-iodopyridin-2-amine

• ChemBase ID: 45246
• Molecular Formular: C5H5IN2
• Molecular Mass: 220.01107
• Monoisotopic Mass: 219.94974617
• SMILES: c1cnc(c(c1)I)N
• Canonical SMILES: Ic1cccnc1N
• InChI: InChI=1S/C5H5IN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
• InChIKey: UUDNBWSHTUFGDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodopyridin-2-amine
• IUPAC Traditional name: 3-iodopyridin-2-amine
• Synonyms: 2-Amino-3-iodopyridine 97%; 3-Iodo-2-pyridinamine; 3-iodopyridin-2-amine; 2-Amino-3-iodopyridine; 2-Amino-3-iodopyridine; 3-Iodo-pyridin-2-ylamine; 2-氨基-3-碘吡啶

Database IDs

• CAS Number: 104830-06-0
• MDL Number: MFCD01651885
• PubChem SID: 162050009
• PubChem CID: 2763151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2592072
• LogD (pH = 7.4): 1.4469873
• Log P: 1.4500494
• Molar Refractivity: 42.2775 cm^3
• Polarizability: 15.846013 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-91 °C; 88-92°C; 88-92°C; 89 - 91°C
• Hydrophobicity(logP): 1.564

Safety Information

• Storage Warning: Air & Light Sensitive; IRRITANT; Irritant
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 20/21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C5H5IN2

DETAILS

Sigma Aldrich - 704474

Packaging
1, 5 g in glass bottle