5-Trifluoromethyl-pyridine-2-carboxylic acid methyl ester - CAS 124236-37-9
Catalog: |
BB005843 |
Product Name: |
5-Trifluoromethyl-pyridine-2-carboxylic acid methyl ester |
CAS: |
124236-37-9 |
Synonyms: |
methyl 5-(trifluoromethyl)pyridine-2-carboxylate |
IUPAC Name: | methyl 5-(trifluoromethyl)pyridine-2-carboxylate |
Description: | 5-Trifluoromethyl-pyridine-2-carboxylic acid methyl ester (CAS# 124236-37-9) is a useful research chemical. |
Molecular Weight: | 205.13 |
Molecular Formula: | C8H6F3NO2 |
Canonical SMILES: | COC(=O)C1=NC=C(C=C1)C(F)(F)F |
InChI: | InChI=1S/C8H6F3NO2/c1-14-7(13)6-3-2-5(4-12-6)8(9,10)11/h2-4H,1H3 |
InChI Key: | CHRQADSGOKVKER-UHFFFAOYSA-N |
Boiling Point: | 248 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.331 g/cm3 |
Appearance: | Yellow to brown solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD08741523 |
LogP: | 1.88700 |
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-111170932-A | Preparation method of 2-aminomethyl-5-trifluoromethyl pyridine salt | 20200113 |
WO-2020252414-A1 | Naphthoquinone derivatives for treatment of oxidative stress disorders | 20190613 |
WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 20190110 |
WO-2019149660-A1 | Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
AU-2019215710-A1 | Triazolopyrimidine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors | 20180202 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.03506292 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.03506292 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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