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Vericiguat impurity-1

CAT: 0931-TYD-02814-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02814-01Size:10 mg
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CAS Number
2135333-04-7
Target
Others
Related Pathways
Others
Bioactivity
Vericiguat impurity-1 is an impurity of Vericiguat. It can be used as an impurity reference standard for analyzing impurities and for developing methods for the selective and quantitative determination of impurities.
Smiles
O=C(O)C1=NN(C=2N=CC(F)=CC12)CC=3C=CC=CC3F
Molecular Formula
C14H9F2N3O2
Molecular Weight
289.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-B]pyridine-3-carboxylic acid
CAS Number2135333-04-7
PubChem CID123235206
IUPAC Name5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24
XLogP2.5
Topological Polar Surface Area68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity398
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=C(C=N3)F)C(=N2)C(=O)O)F
InChI
InChI=1S/C14H9F2N3O2/c15-9-5-10-12(14(20)21)18-19(13(10)17-6-9)7-8-3-1-2-4-11(8)16/h1-6H,7H2,(H,20,21)
InChIKey
SJRPHOSEVJKVKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-B]pyridine-3-carboxylic acid
CAS: 2135333-04-7
CID: 123235206
Formula: C14H9F2N3O2
MW: 289.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.24
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass289.06628286
Monoisotopic Mass289.06628286
Topological Polar Surface Area68 Ų
Heavy Atom Count21
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-EO-01729Vericiguat Impurity 1
HY-W568314Vericiguat impurity-1
CS-O-56714Vericiguat Impurity 8
CS-EO-03184Vericiguat Impurity 2
RM-V309028-01Vericiguat Impurity 28
RM-V309027-01Vericiguat Impurity 27
RM-V309026-01Vericiguat Impurity 26
RM-V309044-01Vericiguat Impurity 44
RM-V309043-01Vericiguat Impurity 43
RM-V309042-01Vericiguat Impurity 42

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