1-(6-chloropyridin-2-yl)-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 48698
• Molecular Formular: C14H13ClN2
• Molecular Mass: 244.71942
• Monoisotopic Mass: 244.07672611
• SMILES: N1(c2nc(Cl)ccc2)c2c(CCC1)cccc2
• Canonical SMILES: Clc1cccc(n1)N1CCCc2c1cccc2
• InChI: InChI=1S/C14H13ClN2/c15-13-8-3-9-14(16-13)17-10-4-6-11-5-1-2-7-12(11)17/h1-3,5,7-9H,4,6,10H2
• InChIKey: FZOPGCKPHMPYHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-chloropyridin-2-yl)-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 1-(6-chloropyridin-2-yl)-3,4-dihydro-2H-quinoline
• Synonyms: 1-(6-Chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD13561969
• PubChem SID: 162053461
• PubChem CID: 53408188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3222876
• LogD (pH = 7.4): 4.3223114
• Log P: 4.322312
• Molar Refractivity: 71.3742 cm^3
• Polarizability: 26.804672 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false