1,2-dihydro-1,5-naphthyridin-2-one

• ChemBase ID: 288491
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: O=c1[nH]c2cccnc2cc1
• Canonical SMILES: O=c1ccc2c([nH]1)cccn2
• InChI: InChI=1S/C8H6N2O/c11-8-4-3-6-7(10-8)2-1-5-9-6/h1-5H,(H,10,11)
• InChIKey: OJFSCKNLUYOABN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dihydro-1,5-naphthyridin-2-one
• IUPAC Traditional name: 1H-1,5-naphthyridin-2-one
• Synonyms: 1,5-Naphthyridin-2(1H)-one

Database IDs

• CAS Number: 10261-82-2
• PubChem SID: 180674022
• PubChem CID: 589680

CALCULATED PROPERTIES

• Acid pKa: 12.6946125
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.600884
• LogD (pH = 7.4): 0.6129724
• Log P: 0.61313105
• Molar Refractivity: 42.6752 cm^3
• Polarizability: 15.2564945 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%