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3-[6-(Trifluoromethyl)-3-pyridyl]propionic Acid

3-[6-(Trifluoromethyl)-3-pyridyl]propionic Acid - CAS 539855-70-4

Catalog:	BB028437
Product Name:	3-[6-(Trifluoromethyl)-3-pyridyl]propionic Acid
CAS:	539855-70-4
Synonyms:	3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid; 3-[6-(trifluoromethyl)pyridin-3-yl]propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-[6-(trifluoromethyl)pyridin-3-yl]propanoic acid
Description:	3-[6-(Trifluoromethyl)-3-pyridyl]propionic Acid (CAS# 539855-70-4 ) is a useful research chemical.
Molecular Weight:	219.16
Molecular Formula:	C9H8F3NO2
Canonical SMILES:	C1=CC(=NC=C1CCC(=O)O)C(F)(F)F
InChI:	InChI=1S/C9H8F3NO2/c10-9(11,12)7-3-1-6(5-13-7)2-4-8(14)15/h1,3,5H,2,4H2,(H,14,15)
InChI Key:	BMMLLDYJLFQFJS-UHFFFAOYSA-N
MDL:	MFCD06801326
LogP:	2.11760

Publication Number	Title	Priority Date
EP-3433239-A1	Small molecule inhibitor of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer	20160324
JP-2019512515-A	Small molecule inhibitors of nuclear translocation of androgen receptor for the treatment of castration resistant prostate cancer	20160324
US-2019022093-A1	Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer	20160324
WO-2017165822-A1	Small molecule inhibitor of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer	20160324
US-10980806-B2	Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer	20160324

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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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

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.05071298
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.05071298
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5