6-phenylpyridine-2,3-diamine

• ChemBase ID: 801129
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1c(c(ccc1c1ccccc1)N)N
• Canonical SMILES: Nc1ccc(nc1N)c1ccccc1
• InChI: InChI=1S/C11H11N3/c12-9-6-7-10(14-11(9)13)8-4-2-1-3-5-8/h1-7H,12H2,(H2,13,14)
• InChIKey: KWEKGHLBYYNQBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylpyridine-2,3-diamine
• IUPAC Traditional name: 6-phenylpyridine-2,3-diamine
• Synonyms: 2,3-DIAMINO-6-PHENYLPYRIDINE

Database IDs

• CAS Number: 144563-51-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7358088
• LogD (pH = 7.4): 1.6752274
• Log P: 1.7252547
• Molar Refractivity: 58.3796 cm^3
• Polarizability: 22.720695 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%