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

2-((4-(Difluoromethyl)-2-ethyl-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid - CAS 1018166-37-4

Catalog:	BB052815
Product Name:	2-((4-(Difluoromethyl)-2-ethyl-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid
CAS:	1018166-37-4
Synonyms:	2-((4-(Difluoromethyl)-2-ethyl-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)aceticacid

Technical Data

Computed Properties

IUPAC Name:	2-[4-(difluoromethyl)-2-ethylpyrazolo[3,4-b]pyridin-6-yl]sulfanylacetic acid
Molecular Weight:	287.29
Molecular Formula:	C11H11F2N3O2S
Canonical SMILES:	CCN1C=C2C(=CC(=NC2=N1)SCC(=O)O)C(F)F
InChI:	InChI=1S/C11H11F2N3O2S/c1-2-16-4-7-6(10(12)13)3-8(14-11(7)15-16)19-5-9(17)18/h3-4,10H,2,5H2,1H3,(H,17,18)
InChI Key:	BQRLEZNIGUEVBI-UHFFFAOYSA-N
Boiling Point:	497.2±45.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]
1-Chlorooctane
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[856848-33-4]
2-Amino-4,5-dibromopyridine
[2114-39-8]
2-Bromo-1-phenylpropane

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1778-09-2]
4'-(Methylthio)acetophenone

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	287.0540041
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	287.0540041
Rotatable Bond Count:	5
Topological Polar Surface Area:	93.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2