8-chloro-1,7-naphthyridin-4-amine

• ChemBase ID: 800462
• Molecular Formular: C8H6ClN3
• Molecular Mass: 179.60634
• Monoisotopic Mass: 179.02502489
• SMILES: c1cnc2c(nccc2c1N)Cl
• Canonical SMILES: Nc1ccnc2c1ccnc2Cl
• InChI: InChI=1S/C8H6ClN3/c9-8-7-5(1-3-12-8)6(10)2-4-11-7/h1-4H,(H2,10,11)
• InChIKey: DDXILDRVOBWVPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-1,7-naphthyridin-4-amine
• IUPAC Traditional name: 8-chloro-1,7-naphthyridin-4-amine
• Synonyms: 8-CHLORO-1,7-NAPHTHYRIDIN-4-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.46904185
• LogD (pH = 7.4): 0.89821374
• Log P: 0.9085239
• Molar Refractivity: 48.3889 cm^3
• Polarizability: 19.13018 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%