4-chloro-6-methyl-3-nitroquinoline

• ChemBase ID: 248372
• Molecular Formular: C10H7ClN2O2
• Molecular Mass: 222.62778
• Monoisotopic Mass: 222.01960515
• SMILES: c1([N+](=O)[O-])c(c2c(nc1)ccc(c2)C)Cl
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)c(cn2)[N+](=O)[O-]
• InChI: InChI=1S/C10H7ClN2O2/c1-6-2-3-8-7(4-6)10(11)9(5-12-8)13(14)15/h2-5H,1H3
• InChIKey: AEVHCQGUOFFWAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methyl-3-nitroquinoline
• IUPAC Traditional name: 4-chloro-6-methyl-3-nitroquinoline
• Synonyms: 4-chloro-6-methyl-3-nitroquinoline

Database IDs

• MDL Number: MFCD13689073
• PubChem SID: 164304282
• PubChem CID: 66880085

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.188349
• LogD (pH = 7.4): 3.1883507
• Log P: 3.1883507
• Molar Refractivity: 57.15 cm^3
• Polarizability: 22.48513 Å^3
• Polar Surface Area: 58.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.043

Product Information

• Purity: null%