6H,7H,8H,9H-pyrido[2,3-b]1,6-naphthyridine

• ChemBase ID: 10224
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: c1cnc2c(c1)cc1c(n2)CCNC1
• Canonical SMILES: C1NCc2c(C1)nc1c(c2)cccn1
• InChI: InChI=1S/C11H11N3/c1-2-8-6-9-7-12-5-3-10(9)14-11(8)13-4-1/h1-2,4,6,12H,3,5,7H2
• InChIKey: GJMMWESLLMXXPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6H,7H,8H,9H-pyrido[2,3-b]1,6-naphthyridine
• IUPAC Traditional name: 6H,7H,8H,9H-pyrido[2,3-b]1,6-naphthyridine
• Synonyms: 1,2,3,4-Tetrahydropyrido-[4,3-b][1,8]-naphthyridine; 1,2,3,4-Tetrahydropyrido-[4,3-b]-[1,8]-naphthyridine

Database IDs

• CAS Number: 387358-41-0
• MDL Number: MFCD00203034
• PubChem SID: 160973531
• PubChem CID: 2737270

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.148585
• LogD (pH = 7.4): -0.64378023
• Log P: 0.8662934
• Molar Refractivity: 55.375 cm^3
• Polarizability: 21.633839 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156-159°C(dec); 156-159(dec.)°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false