2-(pyridin-3-yloxy)aniline

• ChemBase ID: 19063
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(Oc2cnccc2)c(N)cccc1
• Canonical SMILES: Nc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C11H10N2O/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9/h1-8H,12H2
• InChIKey: TXZXPJOTSAXPBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yloxy)aniline
• IUPAC Traditional name: 2-(pyridin-3-yloxy)aniline
• Synonyms: 2-(Pyridin-3-yloxy)aniline; 2-(Pyridin-3-yloxy)-phenylamine; 2-(pyridin-3-yloxy)aniline

Database IDs

• CAS Number: 76167-49-2
• MDL Number: MFCD08059804
• PubChem SID: 160982370
• PubChem CID: 12673493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3792605
• LogD (pH = 7.4): 1.4262941
• Log P: 1.4269346
• Molar Refractivity: 54.8423 cm^3
• Polarizability: 20.902182 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C11H10N2O

DETAILS

Sigma Aldrich - CBR00538

Other Notes
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Legal Information
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