1,8-naphthyridin-2-amine

• ChemBase ID: 114011
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: n1c2ncccc2ccc1N
• Canonical SMILES: Nc1ccc2c(n1)nccc2
• InChI: InChI=1S/C8H7N3/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H,(H2,9,10,11)
• InChIKey: CRADWWWVIYEAFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-naphthyridin-2-amine
• IUPAC Traditional name: 1,8-naphthyridin-2-amine
• Synonyms: 1,8-naphthyridin-2-amine

Database IDs

• CAS Number: 15992-83-3
• MDL Number: MFCD01250851
• PubChem SID: 162099349
• PubChem CID: 4173048

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0034702
• LogD (pH = 7.4): 1.0037605
• Log P: 1.0037642
• Molar Refractivity: 44.4091 cm^3
• Polarizability: 16.516985 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.821

Product Information

• Purity: 95+%; 98%