7-methyl-1,8-naphthyridine-2-carboxylic acid

• ChemBase ID: 114825
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: n1c2nc(ccc2ccc1C(=O)O)C
• Canonical SMILES: Cc1ccc2c(n1)nc(cc2)C(=O)O
• InChI: InChI=1S/C10H8N2O2/c1-6-2-3-7-4-5-8(10(13)14)12-9(7)11-6/h2-5H,1H3,(H,13,14)
• InChIKey: SYRROODKCBUUFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1,8-naphthyridine-2-carboxylic acid
• IUPAC Traditional name: 7-methyl-1,8-naphthyridine-2-carboxylic acid
• Synonyms: 7-Methyl-1,8-naphthyridine-2-carboxylic acid

Database IDs

• MDL Number: MFCD08692067
• PubChem SID: 162101075
• PubChem CID: 40815981

CALCULATED PROPERTIES

• Acid pKa: 3.5493608
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.53310716
• LogD (pH = 7.4): -1.9476649
• Log P: 1.413036
• Molar Refractivity: 50.8709 cm^3
• Polarizability: 19.477705 Å^3
• Polar Surface Area: 63.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.985

Product Information

• Purity: 95+%