| CAS Number | 438450-38-5 |
| Catalog Number | AG00DJ2H(AGN-PC-01NFYP) |
| Chemical Name | 3-chloro-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine |
| IUPAC Name | 3-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine |
| InChI | InChI=1S/C9H5ClF3N3/c10-6-2-1-4-14-8(6)16-5-3-7(15-16)9(11,12)13/h1-5H |
| InChI Key | IADZROUQPRNNNZ-UHFFFAOYSA-N |
| MDL Number | MFCD29087397 |
| Molecular Formula | C9H5ClF3N3 |
| Molecular Weight | 247.6043 |
| SMILES | Clc1cccnc1n1ccc(n1)C(F)(F)F |
| Synonyms | 3-chloro-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine,
438450-38-5,
3-chloro-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridine,
SCHEMBL535692,
IADZROUQPRNNNZ-UHFFFAOYSA-N,
CS-0059870,
1-(3-chloro-2-pyridyl)-3-trifloromethyl-1H-pyrazole,
1-(3-chloro-2-pyridyl)-3-trifluoromethyl-1H-pyrazol,
3-chloro-2-(3-trifluoromethyl-pyrazol-1-yl)-pyridine,
1-(3-chloro-2-pyridyl)-3-trifluoromethyl-1H-pyrazole,
3-chloro-2-(3-trifluoromethyl-1H-pyrazol-1-yl)pyridine,
3-Chloro-2-[3-(trifiuoromethyl)-1H-pyrazol-1-yl]pyridine,
3-chloro-2-[3-(trifluoromethyl)-1H-pyrazol-1-Yl]pridine,
3-Chloro-2[3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridine,
3-chloro-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-pyridine,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.605g/mol |
| Monoisotopic Mass | 247.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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