| CAS Number | 864863-72-9 |
| Catalog Number | AG003924(AGN-PC-0WNVTO) |
| Chemical Name | 6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline |
| 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 |
| MDL Number | MFCD30343848 |
| Molecular Formula | C17H12FN5 |
| Molecular Weight | 305.3091 |
| SMILES | FC1=NC=CC=C1N1N=NC(=C1C)C=1C=C2C=CC=NC2=CC1 |
| Synonyms | FPTQ,
864863-72-9,
CHEMBL1645352,
6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline,
GTPL6353,
SCHEMBL1499977,
KS-00001CM0,
BDBM50333367,
ZINC66251948,
CS-5754,
HY-100382,
F-185,
6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinolone.,
6-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl)quinoline,
D0P6HX,
RTUBNVSZHGWRCV-UHFFFAOYSA-N,
CID11301185,
6-[1-(2-fluoropyridin-3-yl)-5-methyl-triazol-4-yl]quinoline,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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