2-azido-4-chloroquinoline

• ChemBase ID: 83450
• Molecular Formular: C9H5ClN4
• Molecular Mass: 204.6158
• Monoisotopic Mass: 204.02027386
• SMILES: [N+](=Nc1nc2ccccc2c(c1)Cl)=[N-]
• Canonical SMILES: [N-]=[N+]=Nc1cc(Cl)c2c(n1)cccc2
• InChI: InChI=1S/C9H5ClN4/c10-7-5-9(13-14-11)12-8-4-2-1-3-6(7)8/h1-5H
• InChIKey: QZZNHNSFGWCCTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azido-4-chloroquinoline
• IUPAC Traditional name: 2-azido-4-chloroquinoline
• Synonyms: 2-azido-4-chloroquinoline

Database IDs

• MDL Number: MFCD00100785
• PubChem SID: 162070568
• PubChem CID: 2780318

CALCULATED PROPERTIES

• Acid pKa: 4.30852
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6435406
• LogD (pH = 7.4): 3.635832
• Log P: 3.7497723
• Molar Refractivity: 55.3852 cm^3
• Polarizability: 21.05591 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true