Ethyl 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylate - CAS 128073-16-5
Catalog: |
BB006869 |
Product Name: |
Ethyl 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylate |
CAS: |
128073-16-5 |
Synonyms: |
3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid ethyl ester; ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate |
IUPAC Name: | ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate |
Description: | Ethyl 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylate (CAS# 128073-16-5) is a useful research chemical. |
Molecular Weight: | 253.61 |
Molecular Formula: | C9H7ClF3NO2 |
Canonical SMILES: | CCOC(=O)C1=C(C=C(C=N1)C(F)(F)F)Cl |
InChI: | InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-6(10)3-5(4-14-7)9(11,12)13/h3-4H,2H2,1H3 |
InChI Key: | COMQYNZHBCNPNW-UHFFFAOYSA-N |
Boiling Point: | 276.8 °C at 760 mmHg |
Density: | 1.389 g/cm3 |
Appearance: | Yellow liquid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD06656414 |
LogP: | 2.93050 |
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 |
US-2020299286-A1 | Benzodiazepine derivatives as rsv inhibitors | 20190318 |
WO-2020190935-A1 | Benzodiazepine derivatives as rsv inhibitors | 20190318 |
TW-202102493-A | Benzodiazepine derivatives as rsv inhibitors | 20190318 |
WO-2020083662-A1 | Tricyclic pesticidal compounds | 20181023 |
CN-112867714-A | Pesticidal tricyclic compounds | 20181023 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.0117406 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.0117406 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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