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Compound Fr13374

CAT: 0931-Fr13374-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13374-02Size:10 mg
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CAS Number
175203-69-7
Bioactivity
Compound Fr13374, with CAS No. 175203-69-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13374 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)c1cncc(c1)C#Cc1ccccc1
Molecular Formula
C14H9NO2
Molecular Weight
223.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(2-Phenyleth-1-Ynyl)Nicotinic Acid
CAS Number175203-69-7
PubChem CID2779236
IUPAC Name5-(2-phenylethynyl)pyridine-3-carboxylic acid
Molecular FormulaC14H9NO2
Molecular Weight223.23
XLogP2.4
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity333
SMILES
C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)O
InChI
InChI=1S/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17)
InChIKey
DXJZBANECHYHRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-Phenyleth-1-Ynyl)Nicotinic Acid
CAS: 175203-69-7
CID: 2779236
Formula: C14H9NO2
MW: 223.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.23
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass223.063328530
Monoisotopic Mass223.063328530
Topological Polar Surface Area50.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity333
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
Fr13274-01Compound Fr13274
Fr14374-01Compound Fr14374
Fr13377-01Compound Fr13377
Fr13344-01Compound Fr13344
Fr13674-01Compound Fr13674
Fr13372-01Compound Fr13372
Fr13334-01Compound Fr13334
Fr13324-01Compound Fr13324
Fr13874-01Compound Fr13874
Fr13376-01Compound Fr13376

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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