{6-chloroimidazo[1,2-a]pyridin-2-yl}methanamine

• ChemBase ID: 253677
• Molecular Formular: C8H8ClN3
• Molecular Mass: 181.62222
• Monoisotopic Mass: 181.04067495
• SMILES: n12c(nc(c1)CN)ccc(c2)Cl
• Canonical SMILES: NCc1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C8H8ClN3/c9-6-1-2-8-11-7(3-10)5-12(8)4-6/h1-2,4-5H,3,10H2
• InChIKey: KQUKOYAROPXCGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-chloroimidazo[1,2-a]pyridin-2-yl}methanamine
• IUPAC Traditional name: {6-chloroimidazo[1,2-a]pyridin-2-yl}methanamine
• Synonyms: (6-chloroimidazo[1,2-a]pyridin-2-yl)methylamine

Database IDs

• MDL Number: MFCD03152451
• PubChem SID: 164309587
• PubChem CID: 5001826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1989582
• LogD (pH = 7.4): -0.63688695
• Log P: 0.5708344
• Molar Refractivity: 48.6924 cm^3
• Polarizability: 18.530418 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.881

Product Information

• Purity: 95%