3-Chloro-5-(trifluoromethyl)-2-pyridineacetonitrile - CAS 157764-10-8
Catalog: |
BB069696 |
Product Name: |
3-Chloro-5-(trifluoromethyl)-2-pyridineacetonitrile |
CAS: |
157764-10-8 |
Synonyms: |
3-Chloro-5-(trifluoromethyl)-2-(cyanomethyl)pyridine; [3-Chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile; 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)acetonitrile |
IUPAC Name: | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetonitrile |
Description: | 3-Chloro-5-(trifluoromethyl)-2-pyridineacetonitrile is used in the preparation of (pyridyl)pyrazolopyrimidines as corticotropin-releasing factor receptor antagonists. |
Molecular Weight: | 220.58 |
Molecular Formula: | C8H4ClF3N2 |
Canonical SMILES: | C1=C(C=NC(=C1Cl)CC#N)C(F)(F)F |
InChI: | InChI=1S/C8H4ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1H2 |
InChI Key: | QSFVBRUYPUNIPH-UHFFFAOYSA-N |
References: | Huang, C.Q., et. al. Bioorg. Med. Chem. Lett., 14, 3943 (2004). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.0015103 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.0015103 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
-
[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
-
[1263166-91-1]
endo-BCN-PNP-carbonate
-
[883-44-3]
N-(3-Hydroxypropyl)phthalimide
-
[433335-00-3]
N-Boc-(tosyl)methylamine
-
[1184173-73-6]
MK-8353
-
[875573-66-3]
Estra-1,3,5(10)-triene-3,17-diol,7-(9-bromononyl)-,17-acetate,(7a,17b)-
INDUSTRY LEADERS TRUST OUR PRODUCTS