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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

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Halides

[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[98447-30-4]
2-Bromo-4-methoxynitrobenzene
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline

Pyrazoles

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[1879-16-9]
4-Methoxythioanisole
[156-57-0]
Cysteamine hydrochloride

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