1-chloro-2,7-naphthyridine

• ChemBase ID: 63349
• Molecular Formular: C8H5ClN2
• Molecular Mass: 164.5917
• Monoisotopic Mass: 164.01412585
• SMILES: c12ccnc(Cl)c1cncc2
• Canonical SMILES: Clc1nccc2c1cncc2
• InChI: InChI=1S/C8H5ClN2/c9-8-7-5-10-3-1-6(7)2-4-11-8/h1-5H
• InChIKey: UIQLQYQMGHYABX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2,7-naphthyridine
• IUPAC Traditional name: 1-chloro-2,7-naphthyridine
• Synonyms: 1-Chloro-[2,7]naphthyridine; 1-Chloro-2,7-naphthyridine

Database IDs

• CAS Number: 69042-30-4
• MDL Number: MFCD00234389
• PubChem SID: 162029088
• PubChem CID: 13082170

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3511934
• LogD (pH = 7.4): 1.3515944
• Log P: 1.3515996
• Molar Refractivity: 44.0605 cm^3
• Polarizability: 17.983332 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%