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Home > Fluorides > 864863-72-9
864863-72-9 | 6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
CAS No: 864863-72-9 Catalog No: AG003924 MDL No:
Product Description
Catalog Number:
AG003924
Chemical Name:
6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
CAS Number:
864863-72-9
Molecular Formula:
C17H12FN5
Molecular Weight:
305.3091
IUPAC Name:
6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
InChI:
InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3
InChI Key:
RTUBNVSZHGWRCV-UHFFFAOYSA-N
SMILES:
Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.316g/mol
Monoisotopic Mass:
305.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of 6-[1-(2-[(18)F]fluoro-3-pyridyl)-5-methyl-1H-1,2,3-triazol-4-yl]quinoline for positron emission tomography imaging of the metabotropic glutamate receptor type 1 in brain. | Bioorganic & medicinal chemistry 20110101 |
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