6-(aminomethyl)-5-chloropyridin-2-amine

• ChemBase ID: 267719
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: n1c(c(ccc1N)Cl)CN
• Canonical SMILES: NCc1nc(N)ccc1Cl
• InChI: InChI=1S/C6H8ClN3/c7-4-1-2-6(9)10-5(4)3-8/h1-2H,3,8H2,(H2,9,10)
• InChIKey: CMWCAYSYSPTLGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)-5-chloropyridin-2-amine
• IUPAC Traditional name: 6-(aminomethyl)-5-chloropyridin-2-amine
• Synonyms: 6-(aminomethyl)-5-chloropyridin-2-amine

Database IDs

• MDL Number: MFCD16547626
• PubChem SID: 164323629
• PubChem CID: 47003093

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3124785
• LogD (pH = 7.4): -0.6797629
• Log P: 0.33238998
• Molar Refractivity: 41.671 cm^3
• Polarizability: 15.822688 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.106

Product Information

• Purity: 95%