6-(2-methyl-1H-imidazol-1-yl)pyridin-3-amine

• ChemBase ID: 258758
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: n1(c(ncc1)C)c1ncc(N)cc1
• Canonical SMILES: Nc1ccc(nc1)n1ccnc1C
• InChI: InChI=1S/C9H10N4/c1-7-11-4-5-13(7)9-3-2-8(10)6-12-9/h2-6H,10H2,1H3
• InChIKey: NYBXVLWEJWHENB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methyl-1H-imidazol-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(2-methylimidazol-1-yl)pyridin-3-amine
• Synonyms: 6-(2-methyl-1H-imidazol-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD08700227
• PubChem SID: 164314668
• PubChem CID: 16793778

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9219827
• LogD (pH = 7.4): 0.040075783
• Log P: 0.1472
• Molar Refractivity: 61.3041 cm^3
• Polarizability: 18.743275 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162°C
• Hydrophobicity(logP): 0.279

Product Information

• Purity: 95%