2-chloro-3-iodo-5-methyl-1,6-naphthyridine

• ChemBase ID: 113020
• Molecular Formular: C9H6ClIN2
• Molecular Mass: 304.51481
• Monoisotopic Mass: 303.92642388
• SMILES: n1c(c(cc2c1ccnc2C)I)Cl
• Canonical SMILES: Ic1cc2c(C)nccc2nc1Cl
• InChI: InChI=1S/C9H6ClIN2/c1-5-6-4-7(11)9(10)13-8(6)2-3-12-5/h2-4H,1H3
• InChIKey: SIQXQAGZZMBTNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-iodo-5-methyl-1,6-naphthyridine
• IUPAC Traditional name: 2-chloro-3-iodo-5-methyl-1,6-naphthyridine
• Synonyms: 2-chloro-3-iodo-5-methyl-1,6-naphthyridine

Database IDs

• PubChem SID: 162106821
• PubChem CID: 71300231

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7774436
• LogD (pH = 7.4): 2.7975023
• Log P: 2.7977645
• Molar Refractivity: 61.6425 cm^3
• Polarizability: 24.870178 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174 °C

Product Information

• Purity: >97%