2-Chloro-4-(trifluoromethyl)pyridine - CAS 81565-18-6
Catalog: |
BB036673 |
Product Name: |
2-Chloro-4-(trifluoromethyl)pyridine |
CAS: |
81565-18-6 |
Synonyms: |
2-chloro-4-(trifluoromethyl)pyridine |
IUPAC Name: | 2-chloro-4-(trifluoromethyl)pyridine |
Description: | 2-Chloro-4-(trifluoromethyl)pyridine (CAS# 81565-18-6) is a reagent used in the preparation of Molidustat, a small molecule oral HIF-prolyl hydroxylase. |
Molecular Weight: | 181.54 |
Molecular Formula: | C6H3ClF3N |
Canonical SMILES: | C1=CN=C(C=C1C(F)(F)F)Cl |
InChI: | InChI=1S/C6H3ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H |
InChI Key: | GBNPVXZNWBWNEN-UHFFFAOYSA-N |
Boiling Point: | 146-147 °C |
Purity: | 98 % |
Density: | 1.411 g/cm3 |
MDL: | MFCD00042224 |
LogP: | 2.75380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113201022-A | Small conjugated phosphorescent metal iridium (III) complex with isomer and preparation method and application thereof | 20210429 |
CN-111574440-A | Preparation method of 4-trifluoromethyl nicotinic acid | 20200525 |
WO-2021064571-A1 | N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication | 20191001 |
WO-2020254369-A1 | Substituted biphenyl or phenylheteroaryl-mannosides as antagonists of fimh | 20190619 |
WO-2020225273-A1 | Novel compounds | 20190507 |
PMID | Publication Date | Title | Journal |
11425579 | 20010701 | Synthesis of novel analogues of marine indole alkaloids: mono(indolyl)-4-trifluoromethylpyridines and bis(indolyl)-4-trifluoromethylpyridines as potential anticancer agents | Bioorganic & medicinal chemistry |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.9906113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.9906113 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Pyridines
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