7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine-2-carboxylic acid

• ChemBase ID: 811245
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C1C(Nc2nc(ccc2C1)C)C(=O)O
• Canonical SMILES: Cc1ccc2c(n1)NC(CC2)C(=O)O
• InChI: InChI=1S/C10H12N2O2/c1-6-2-3-7-4-5-8(10(13)14)12-9(7)11-6/h2-3,8H,4-5H2,1H3,(H,11,12)(H,13,14)
• InChIKey: NLVZSGWOVCZDFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine-2-carboxylic acid
• IUPAC Traditional name: 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine-2-carboxylic acid
• Synonyms: 7-METHYL-1,2,3,4-TETRAHYDRO-[1,8]NAPHTHYRIDINE-2-CARBOXYLIC ACID

CALCULATED PROPERTIES

• Acid pKa: 3.8032756
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0281997
• LogD (pH = 7.4): -1.3996564
• Log P: -1.0480552
• Molar Refractivity: 52.7404 cm^3
• Polarizability: 19.507753 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%