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Home > Pyridines > 1256805-99-8
1256805-99-8 | Pyridine, 2-ethynyl-3-methoxy-
CAS No: 1256805-99-8 Catalog No: AG000ODW MDL No:MFCD18256372
Product Description
Catalog Number:
AG000ODW
Chemical Name:
Pyridine, 2-ethynyl-3-methoxy-
CAS Number:
1256805-99-8
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD18256372
IUPAC Name:
2-ethynyl-3-methoxypyridine
InChI:
InChI=1S/C8H7NO/c1-3-7-8(10-2)5-4-6-9-7/h1,4-6H,2H3
InChI Key:
QXMSDSFEQQXTFQ-UHFFFAOYSA-N
SMILES:
COc1cccnc1C#C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Methoxyphenylethynyl, methoxypyridylethynyl and phenylethynyl derivatives of pyridine: synthesis, radiolabeling and evaluation of new PET ligands for metabotropic glutamate subtype 5 receptors. | Nuclear medicine and biology 20050801 |
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