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Compound FL0169

CAT: 0013-GTR19269733-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269733-02Size:5 mg
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Description
Compound FL0169, with CAS No. 1256807-59-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0169 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1256807-59-6
Smiles
OC (=O) C1=CC2=NNC=C2N=C1
Molecular Formula
C7H5N3O2
Molecular Weight
163.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1H-Pyrazolo(4,3-b)pyridine-6-carboxylic acid
CAS Number1256807-59-6
PubChem CID67151339
IUPAC Name1H-pyrazolo[4,5-b]pyridine-6-carboxylic acid
Molecular FormulaC7H5N3O2
Molecular Weight163.13
XLogP0.1
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity197
SMILES
C1=C(C=NC2=C1NN=C2)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)4-1-5-6(8-2-4)3-9-10-5/h1-3H,(H,9,10)(H,11,12)
InChIKey
VATYKCRPUNUKSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Pyrazolo(4,3-b)pyridine-6-carboxylic acid
CAS: 1256807-59-6
CID: 67151339
Formula: C7H5N3O2
MW: 163.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.13
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass163.038176411
Monoisotopic Mass163.038176411
Topological Polar Surface Area78.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity197
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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