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2-((2,3-Dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid

2-((2,3-Dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid - CAS 1018046-81-5

Catalog:	BB052812
Product Name:	2-((2,3-Dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid
CAS:	1018046-81-5
Synonyms:	2-((2,3-Dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)aceticacid

Technical Data

Computed Properties

IUPAC Name:	2-[2,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetic acid
Molecular Weight:	305.28
Molecular Formula:	C11H10F3N3O2S
Canonical SMILES:	CC1=C2C(=CC(=NC2=NN1C)SCC(=O)O)C(F)(F)F
InChI:	InChI=1S/C11H10F3N3O2S/c1-5-9-6(11(12,13)14)3-7(20-4-8(18)19)15-10(9)16-17(5)2/h3H,4H2,1-2H3,(H,18,19)
InChI Key:	WJJCMEFMKLDAHL-UHFFFAOYSA-N
Boiling Point:	481.9±45.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

Complexity:	382
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.04458223
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	305.04458223
Rotatable Bond Count:	3
Topological Polar Surface Area:	93.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6