200,000+ products from a single source!
sales@angenechem.com
30413-61-7 | Pyridine, 2-ethynyl-5-methyl-
CAS No: 30413-61-7 Catalog No: AG003023 MDL No:MFCD13175240
Product Description
Catalog Number:
AG003023
Chemical Name:
Pyridine, 2-ethynyl-5-methyl-
CAS Number:
30413-61-7
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD13175240
IUPAC Name:
2-ethynyl-5-methylpyridine
InChI:
InChI=1S/C8H7N/c1-3-8-5-4-7(2)6-9-8/h1,4-6H,2H3
InChI Key:
RENKQEMYPXHMKI-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cn1)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.151g/mol
Monoisotopic Mass:
117.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Potent mGluR5 antagonists: pyridyl and thiazolyl-ethynyl-3,5-disubstituted-phenyl series. | Bioorganic & medicinal chemistry letters 20110601 |
Related Products
© 2019 Angene International Limited. All rights Reserved.