2-aminopyridin-3-ol

• ChemBase ID: 15092
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(c(nccc1)N)O
• Canonical SMILES: Oc1cccnc1N
• InChI: InChI=1S/C5H6N2O/c6-5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,7)
• InChIKey: BMTSZVZQNMNPCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopyridin-3-ol
• IUPAC Traditional name: 2-aminopyridin-3-ol
• Synonyms: 3-Hydroxy-2-pyridinamine; 2-Amino-3-hydroxypyridine; 2-AMINO-3-PYRIDOL; 2-Amino-3-pyridinol; 2-Amino-3-hydroxypyridine; 2-aminopyridin-3-ol; 2-氨基-3-吡啶酚; 2-氨基-3-羟基吡啶

Database IDs

• CAS Number: 16867-03-1
• EC Number: 240-886-8
• MDL Number: MFCD00006317
• Beilstein Number: 109868
• PubChem SID: 160978399; 24846031; 24847493
• PubChem CID: 28114

CALCULATED PROPERTIES

• Acid pKa: 9.601381
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.99246067
• LogD (pH = 7.4): 0.07236483
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.187218 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dimethyl Sulfoxide; Methanol
• Apperance: Beige Solid
• Melting Point: >152°C (dec.); 166-174°C; 166-174°C; 168-172 °C; 168-172 °C(lit.); 172-174°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT; Toxic/Irritant/Store under Argon
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38; 36/37/38
• Safety Statements: 26; 26-36/37-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC); ≥97.0% (NT); 98%
• Grade: purum
• Empirical Formula (Hill Notation): C5H6N2O

DETAILS

MP Biomedicals - 05223813

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 122513

Packaging
25, 100 g in poly bottle
5 kg in fiber drum
5 g in glass bottle

Sigma Aldrich - 08208

General description
oxidizes with discoloration