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Compound Fr14030

CAT: 0931-Fr14030-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14030-02Size:5 mg
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CAS Number
307307-97-7
Purity
0.9977
Bioactivity
Compound Fr14030, with CAS No. 307307-97-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14030 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.
Smiles
OC(=O)c1cnn2CCCCc12
Molecular Formula
C8H10N2O2
Molecular Weight
166.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4H,5H,6H,7H-pyrazolo(1,5-a)pyridine-3-carboxylic acid
CAS Number307307-97-7
PubChem CID21941376
IUPAC Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
Molecular FormulaC8H10N2O2
Molecular Weight166.18
XLogP0.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity195
SMILES
C1CCN2C(=C(C=N2)C(=O)O)C1
InChI
InChI=1S/C8H10N2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h5H,1-4H2,(H,11,12)
InChIKey
VOAKNFVZEGNOKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H,5H,6H,7H-pyrazolo(1,5-a)pyridine-3-carboxylic acid
CAS: 307307-97-7
CID: 21941376
Formula: C8H10N2O2
MW: 166.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.18
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass166.074227566
Monoisotopic Mass166.074227566
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity195
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

Related Products

CatalogName
Fr14530-01Compound Fr14530
Fr14037-01Compound Fr14037
Fr14040-01Compound Fr14040
Fr14070-01Compound Fr14070
Fr13030-01Compound Fr13030
Fr14010-01Compound Fr14010
Fr14330-01Compound Fr14330
Fr14130-01Compound Fr14130
Fr14300-01Compound Fr14300
Fr14230-01Compound Fr14230

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