5-chloro-1,6-naphthyridin-3-amine

• ChemBase ID: 800475
• Molecular Formular: C8H6ClN3
• Molecular Mass: 179.60634
• Monoisotopic Mass: 179.02502489
• SMILES: c1(cnc2ccnc(c2c1)Cl)N
• Canonical SMILES: Nc1cnc2c(c1)c(Cl)ncc2
• InChI: InChI=1S/C8H6ClN3/c9-8-6-3-5(10)4-12-7(6)1-2-11-8/h1-4H,10H2
• InChIKey: ITEKKOHZQORKGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-1,6-naphthyridin-3-amine
• IUPAC Traditional name: 5-chloro-1,6-naphthyridin-3-amine
• Synonyms: 5-CHLORO-1,6-NAPHTHYRIDIN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.90828985
• LogD (pH = 7.4): 0.908521
• Log P: 0.9085239
• Molar Refractivity: 48.3889 cm^3
• Polarizability: 19.116486 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%