5-(Trifluoromethyl)pyridine-3-carboxylic acid - CAS 131747-40-5
Catalog: |
BB007478 |
Product Name: |
5-(Trifluoromethyl)pyridine-3-carboxylic acid |
CAS: |
131747-40-5 |
Synonyms: |
5-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 5-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 5-(Trifluoromethyl)pyridine-3-carboxylic acid (CAS# 131747-40-5) is a useful research chemical. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=C(C=NC=C1C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-4(6(12)13)2-11-3-5/h1-3H,(H,12,13) |
InChI Key: | RKFDCELCLIZRRH-UHFFFAOYSA-N |
Boiling Point: | 277.5 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.484 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD07774128 |
LogP: | 1.79860 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501783-A | Erianin heterocyclic derivative and preparation method and application thereof | 20210630 |
WO-2021068179-A1 | Novel heteroaryl-substituted pyrazine derivatives as pesticides | 20191011 |
WO-2021069575-A1 | Heteroaryl-substituted pyrazine derivatives as pesticides | 20191011 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
CN-111808086-A | Heterocyclic substituted styryl-4-phenylpyridine derivative, preparation method and medical application thereof | 20190617 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.01941286 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Related Functional Groups
Pyridines
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