2,6-dimethyl-1,8-naphthyridine

• ChemBase ID: 50600
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1(cnc2c(c1)ccc(n2)C)C
• Canonical SMILES: Cc1cnc2c(c1)ccc(n2)C
• InChI: InChI=1S/C10H10N2/c1-7-5-9-4-3-8(2)12-10(9)11-6-7/h3-6H,1-2H3
• InChIKey: DMHYFUIQTGCNJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-1,8-naphthyridine
• IUPAC Traditional name: 2,6-dimethyl-1,8-naphthyridine
• Synonyms: 2,6-Dimethyl-1,8-naphthyridine; 2,6-Dimethyl-1,8-naphthyridine

Database IDs

• CAS Number: 14757-45-0
• MDL Number: MFCD13563078
• PubChem SID: 162055363
• PubChem CID: 594110

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8829722
• LogD (pH = 7.4): 1.8830235
• Log P: 1.8830242
• Molar Refractivity: 49.0279 cm^3
• Polarizability: 18.931374 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H10N2

DETAILS

Sigma Aldrich - ADE000845

Other Notes
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