1,2,3,4-tetrahydro-1,5-naphthyridine

• ChemBase ID: 252624
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: N1c2c(nccc2)CCC1
• Canonical SMILES: C1CNc2c(C1)nccc2
• InChI: InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2
• InChIKey: OALXTMWCXNPUKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydro-1,5-naphthyridine
• IUPAC Traditional name: 1,2,3,4-tetrahydro-1,5-naphthyridine
• Synonyms: 1,2,3,4-tetrahydro-1,5-naphthyridine

Database IDs

• CAS Number: 13993-61-8
• MDL Number: MFCD08444439
• PubChem SID: 164308534
• PubChem CID: 6917495

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.044393066
• LogD (pH = 7.4): 0.56685746
• Log P: 0.58672464
• Molar Refractivity: 41.5817 cm^3
• Polarizability: 15.288221 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 1.66

Product Information

• Purity: 95%; 98%