7-chloro-2,4-dimethyl-1,8-naphthyridine

• ChemBase ID: 113983
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c12nc(ccc2c(cc(n1)C)C)Cl
• Canonical SMILES: Clc1ccc2c(n1)nc(cc2C)C
• InChI: InChI=1S/C10H9ClN2/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3
• InChIKey: HLCDGFNOHFBIMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2,4-dimethyl-1,8-naphthyridine
• IUPAC Traditional name: 7-chloro-2,4-dimethyl-1,8-naphthyridine
• Synonyms: 7-Chloro-2,4-dimethyl-[1,8]naphthyridine

Database IDs

• CAS Number: 77223-21-3
• MDL Number: MFCD00206716
• PubChem SID: 162098974
• PubChem CID: 273272

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7071834
• LogD (pH = 7.4): 2.707245
• Log P: 2.707246
• Molar Refractivity: 54.894 cm^3
• Polarizability: 20.829165 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.677

Product Information

• Purity: 95+%