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1312924-02-9 | 3-Iodo-5-[2-(2-pyridinyl)ethynyl]-benzonitrile
CAS No: 1312924-02-9 Catalog No: AG01E0UP MDL No:
Product Description
Catalog Number:
AG01E0UP
Chemical Name:
3-Iodo-5-[2-(2-pyridinyl)ethynyl]-benzonitrile
CAS Number:
1312924-02-9
IUPAC Name:
3-iodo-5-(2-pyridin-2-ylethynyl)benzonitrile
InChI:
InChI=1S/C14H7IN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H
InChI Key:
ACOQCNSDOIOLDC-UHFFFAOYSA-N
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.965g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.128g/mol
Monoisotopic Mass:
329.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Potent mGluR5 antagonists: pyridyl and thiazolyl-ethynyl-3,5-disubstituted-phenyl series. | Bioorganic & medicinal chemistry letters 20110601 |
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