6-chloro-N-cyclopentylpyridin-2-amine

• ChemBase ID: 49565
• Molecular Formular: C10H13ClN2
• Molecular Mass: 196.67662
• Monoisotopic Mass: 196.07672611
• SMILES: n1c(NC2CCCC2)cccc1Cl
• Canonical SMILES: Clc1cccc(n1)NC1CCCC1
• InChI: InChI=1S/C10H13ClN2/c11-9-6-3-7-10(13-9)12-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,12,13)
• InChIKey: NUKXRZVOIWRVFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-cyclopentylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-cyclopentylpyridin-2-amine
• Synonyms: 6-Chloro-N-cyclopentyl-2-pyridinamine

Database IDs

• MDL Number: MFCD13562543
• PubChem SID: 162054328
• PubChem CID: 53410298

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0010831
• LogD (pH = 7.4): 3.0017245
• Log P: 3.0017328
• Molar Refractivity: 56.6877 cm^3
• Polarizability: 20.976892 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false