5-(4-methylpyridin-2-yl)pyridin-3-amine

• ChemBase ID: 796922
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1c(cc(cc1)C)c1cncc(c1)N
• Canonical SMILES: Cc1ccnc(c1)c1cncc(c1)N
• InChI: InChI=1S/C11H11N3/c1-8-2-3-14-11(4-8)9-5-10(12)7-13-6-9/h2-7H,12H2,1H3
• InChIKey: ZZJRIECAMDUNLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methylpyridin-2-yl)pyridin-3-amine
• IUPAC Traditional name: 5-(4-methylpyridin-2-yl)pyridin-3-amine
• Synonyms: 4-Methyl-[2,3'-bipyridin]-5'-aMine

Database IDs

• CAS Number: 1255634-14-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1159421
• LogD (pH = 7.4): 1.2534081
• Log P: 1.2554721
• Molar Refractivity: 56.25 cm^3
• Polarizability: 22.43865 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%