(6-aminopyridin-3-yl)methanol

• ChemBase ID: 63136
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(N)ccc(c1)CO
• Canonical SMILES: OCc1ccc(nc1)N
• InChI: InChI=1S/C6H8N2O/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2,(H2,7,8)
• InChIKey: TXPRFSOGPYITOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-aminopyridin-3-yl)methanol
• IUPAC Traditional name: (6-aminopyridin-3-yl)methanol
• Synonyms: 2-Amino-5-(hydroxymethyl)pyridine; 2-Aminopyridine-5-methanol; 2-Amino-5-hydroxymethylpyridine; (6-Aminopyridin-3-yl)methanol; 2-Amino-5-(hydroxymethyl)pyridine 97%; (6-amino-3-pyridinyl)methanol; (6-Aminopyridin-3-yl)methanol; 2-氨基吡啶-5-甲醇

Database IDs

• CAS Number: 113293-71-3
• MDL Number: MFCD06659089
• PubChem SID: 162028875
• PubChem CID: 2794829

CALCULATED PROPERTIES

• Acid pKa: 14.854356
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0958667
• LogD (pH = 7.4): -0.2859012
• Log P: -0.2462448
• Molar Refractivity: 35.7309 cm^3
• Polarizability: 13.029104 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113-118°C; 119.5-120°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: >95%; 97%