5-N-phenylpyridine-2,5-diamine

• ChemBase ID: 235492
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1c(N)ccc(Nc2ccccc2)c1
• Canonical SMILES: Nc1ccc(cn1)Nc1ccccc1
• InChI: InChI=1S/C11H11N3/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8,14H,(H2,12,13)
• InChIKey: RZBFVVRYQHWXAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-N-phenylpyridine-2,5-diamine
• IUPAC Traditional name: 5-N-phenylpyridine-2,5-diamine
• Synonyms: 5-N-phenylpyridine-2,5-diamine

Database IDs

• MDL Number: MFCD10009415
• PubChem SID: 164291402
• PubChem CID: 5743668

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.88913345
• LogD (pH = 7.4): 1.8778114
• Log P: 1.9610307
• Molar Refractivity: 57.4012 cm^3
• Polarizability: 21.312212 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.768

Product Information

• Purity: 95%