3-chloro-2-methoxypyridin-4-amine

• ChemBase ID: 45114
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: c1(c(nccc1N)OC)Cl
• Canonical SMILES: COc1nccc(c1Cl)N
• InChI: InChI=1S/C6H7ClN2O/c1-10-6-5(7)4(8)2-3-9-6/h2-3H,1H3,(H2,8,9)
• InChIKey: QYPDHIZVPNIDEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-methoxypyridin-4-amine
• IUPAC Traditional name: 3-chloro-2-methoxypyridin-4-amine
• Synonyms: 3-Chloro-2-methoxy-4-pyridinamine

Database IDs

• CAS Number: 1190198-20-9
• MDL Number: MFCD12025480
• PubChem SID: 162049877
• PubChem CID: 15334556

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7806095
• LogD (pH = 7.4): 0.9644958
• Log P: 0.9674784
• Molar Refractivity: 40.183 cm^3
• Polarizability: 15.045526 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: LMS °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; >97%