4,6,8-trichloro-1,7-naphthyridine

• ChemBase ID: 294897
• Molecular Formular: C8H3Cl3N2
• Molecular Mass: 233.48182
• Monoisotopic Mass: 231.93618115
• SMILES: Clc1c2nccc(Cl)c2cc(Cl)n1
• Canonical SMILES: Clc1nc(Cl)c2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C8H3Cl3N2/c9-5-1-2-12-7-4(5)3-6(10)13-8(7)11/h1-3H
• InChIKey: RXWXAIRRMCXMBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6,8-trichloro-1,7-naphthyridine
• IUPAC Traditional name: 4,6,8-trichloro-1,7-naphthyridine
• Synonyms: 4,6,8-Trichloro-1,7-naphthyridine

Database IDs

• CAS Number: 931100-02-6
• MDL Number: MFCD18837814
• PubChem SID: 180680428
• PubChem CID: 71464212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.165714
• LogD (pH = 7.4): 3.1657164
• Log P: 3.1657164
• Molar Refractivity: 54.3594 cm^3
• Polarizability: 21.858501 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%