2-chloro-6-ethynylpyridine

• ChemBase ID: 89714
• Molecular Formular: C7H4ClN
• Molecular Mass: 137.56636
• Monoisotopic Mass: 137.00322681
• SMILES: n1c(cccc1Cl)C#C
• Canonical SMILES: C#Cc1cccc(n1)Cl
• InChI: InChI=1S/C7H4ClN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
• InChIKey: ZOHUJSRUQYVASP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-ethynylpyridine
• IUPAC Traditional name: 2-chloro-6-ethynylpyridine
• Synonyms: (6-Chloropyridin-2-yl)acetylene; 2-Chloro-6-ethynylpyridine

Database IDs

• CAS Number: 914950-09-7
• MDL Number: MFCD13189719
• PubChem SID: 162076577
• PubChem CID: 44887026

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.11648
• LogD (pH = 7.4): 2.1164808
• Log P: 2.1164808
• Molar Refractivity: 34.5675 cm^3
• Polarizability: 13.939921 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 98%