916792-59-1 Purity
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Specification
The molecular formula of 3-Bromo-5-(prop-1-ynyl)pyridine is C8H6BrN.
The synonyms for 3-Bromo-5-(prop-1-ynyl)pyridine are 917772-69-1, 3-bromo-5-(prop-1-yn-1-yl)pyridine, 3-bromo-5-prop-1-ynylpyridine, and Pyridine, 3-bromo-5-(1-propyn-1-yl).
The molecular weight of 3-Bromo-5-(prop-1-ynyl)pyridine is 196.04 g/mol.
The IUPAC name of 3-Bromo-5-(prop-1-ynyl)pyridine is 3-bromo-5-prop-1-ynylpyridine.
The InChI of 3-Bromo-5-(prop-1-ynyl)pyridine is InChI=1S/C8H6BrN/c1-2-3-7-4-8(9)6-10-5-7/h4-6H,1H3.
The InChIKey of 3-Bromo-5-(prop-1-ynyl)pyridine is NHJSCWUFKMMXII-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromo-5-(prop-1-ynyl)pyridine is CC#CC1=CC(=CN=C1)Br.
The CAS number of 3-Bromo-5-(prop-1-ynyl)pyridine is 917772-69-1.
The XLogP3-AA value of 3-Bromo-5-(prop-1-ynyl)pyridine is 2.3.
Yes, 3-Bromo-5-(prop-1-ynyl)pyridine is a canonicalized compound.