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1-Methyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

1-Methyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid - CAS 1356543-40-2

Catalog:	BB052132
Product Name:	1-Methyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CAS:	1356543-40-2
Synonyms:	1-methyl-4-(2-thienyl)-1{H}-pyrazolo[3,4-{b}]pyridine-3-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	1-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxylic acid
Molecular Weight:	259.29
Molecular Formula:	C12H9N3O2S
Canonical SMILES:	CN1C2=NC=CC(=C2C(=N1)C(=O)O)C3=CC=CS3
InChI:	InChI=1S/C12H9N3O2S/c1-15-11-9(10(14-15)12(16)17)7(4-5-13-11)8-3-2-6-18-8/h2-6H,1H3,(H,16,17)
InChI Key:	VLUBMTQDLPAGRO-UHFFFAOYSA-N
Purity:	97%

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Related Functional Groups

Pyrazoles

[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[1876647-04-9]
3-Bromo-1-(3,3,3-trifluoropropyl)-1H-pyrazole
[1431965-02-4]
4-Amino-1-ethylpyrazole-3-carboxylic acid hydrochloride
[72411-50-8]
5-Amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[76167-49-2]
2-(Pyridin-3-yloxy)aniline
[153259-31-5]
2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[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
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

Thiophenes

[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[13669-10-8]
Ethyl (2-thenoyl)acetate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[438220-53-2]
Ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
[350989-99-0]
Ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate

Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.04154771
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	259.04154771
Rotatable Bond Count:	2
Topological Polar Surface Area:	96.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2