6-methoxypyridin-2-amine

• ChemBase ID: 23739
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1c(nc(cc1)N)OC
• Canonical SMILES: COc1cccc(n1)N
• InChI: InChI=1S/C6H8N2O/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3,(H2,7,8)
• InChIKey: DEUALFRBMNMGDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridin-2-amine
• IUPAC Traditional name: 6-methoxypyridin-2-amine
• Synonyms: 6-Methoxy-pyridin-2-ylamine; 6-Methoxy-pyridin-2-ylamine; 6-Methoxypyridin-2-amine; 2-Amino-6-methoxypyridine; 6-methoxypyrid-2-ylamine

Database IDs

• CAS Number: 17920-35-3
• MDL Number: MFCD04972542
• PubChem SID: 160987046
• PubChem CID: 580053

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8815656
• LogD (pH = 7.4): 0.95684
• Log P: 0.9578912
• Molar Refractivity: 35.6917 cm^3
• Polarizability: 13.094472 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2O

DETAILS

Sigma Aldrich - ADE000359

Other Notes
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