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2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid - CAS 505084-59-3

Name: 2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027090
Product Name:	2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
CAS:	505084-59-3
Synonyms:	2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
Description:	2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid (CAS# 505084-59-3) is a useful research chemical.
Molecular Weight:	225.55
Molecular Formula:	C7H3ClF3NO2
Canonical SMILES:	C1=C(C(=NC=C1C(F)(F)F)Cl)C(=O)O
InChI:	InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key:	RMSKYTKOFDQVEL-UHFFFAOYSA-N
Boiling Point:	301.5 °C at 760 mmHg
Density:	1.603 g/cm³
MDL:	MFCD08741353
LogP:	2.45200

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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021178488-A1	Eif4e inhibitors and uses thereof	20200303
WO-2021115225-A1	Pyrazole-containing polycyclic derivative inhibitor, preparation method therefor and application thereof	20191210
WO-2020261114-A1	2,3-dihydroquinazolin compounds as nav1.8 inhibitors	20190627
JP-2019167373-A	Method for controlling harmful arthropods using heterocyclic compounds	20190607
US-2020290969-A1	Fused piperidinyl bicyclic and related compounds as modulators of c5a receptor	20190311

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.9804405
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.9804405
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2