2-chloro-6-methoxypyridin-3-amine

• ChemBase ID: 139890
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: COc1ccc(c(n1)Cl)N
• Canonical SMILES: COc1ccc(c(n1)Cl)N
• InChI: InChI=1S/C6H7ClN2O/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,8H2,1H3
• InChIKey: AOGGRVIJAHZLFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxypyridin-3-amine
• IUPAC Traditional name: 2-chloro-6-methoxypyridin-3-amine
• Synonyms: 3-Amino-2-chloro-6-methoxypyridine; 2-chloro-6-methoxypyridin-3-amine; 3-Amino-2-chloro-6-methoxypyridine; 3-氨基-2-氯-6-甲氧基吡啶

Database IDs

• CAS Number: 34392-85-3; 135795-46-9
• EC Number: 251-989-2
• MDL Number: MFCD09258809
• PubChem SID: 24885649; 162234137
• PubChem CID: 118674

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1876552
• LogD (pH = 7.4): 1.1876556
• Log P: 1.1876556
• Molar Refractivity: 41.2443 cm^3
• Polarizability: 15.077527 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-50 °C
• Flash Point: >110 °C; >230 °F
• Hydrophobicity(logP): 1.946

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C6H7ClN2O

DETAILS

Sigma Aldrich - 681679

Packaging
1 g in glass bottle