2-chloroquinolin-6-amine

• ChemBase ID: 291914
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: Nc1cc2c(cc1)nc(Cl)cc2
• Canonical SMILES: Nc1ccc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C9H7ClN2/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H,11H2
• InChIKey: JNHREQJNIDQTRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroquinolin-6-amine
• IUPAC Traditional name: 2-chloroquinolin-6-amine
• Synonyms: 2-Chloroquinolin-6-amine

Database IDs

• CAS Number: 238756-47-3
• MDL Number: MFCD11847785
• PubChem SID: 180677445
• PubChem CID: 15445054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1243777
• LogD (pH = 7.4): 2.1261735
• Log P: 2.1261964
• Molar Refractivity: 50.5458 cm^3
• Polarizability: 20.005041 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%