5-chloro-2-cyclopropylpyridin-4-amine

• ChemBase ID: 801960
• Molecular Formular: C8H9ClN2
• Molecular Mass: 168.62346
• Monoisotopic Mass: 168.04542598
• SMILES: n1c(cc(c(c1)Cl)N)C1CC1
• Canonical SMILES: Clc1cnc(cc1N)C1CC1
• InChI: InChI=1S/C8H9ClN2/c9-6-4-11-8(3-7(6)10)5-1-2-5/h3-5H,1-2H2,(H2,10,11)
• InChIKey: VXQJNRRANNGASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-cyclopropylpyridin-4-amine
• IUPAC Traditional name: 5-chloro-2-cyclopropylpyridin-4-amine
• Synonyms: 5-CHLORO-2-CYCLOPROPYLPYRIDIN-4-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.10322943
• LogD (pH = 7.4): 1.1271739
• Log P: 1.4418585
• Molar Refractivity: 45.397 cm^3
• Polarizability: 17.174803 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%