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Compound FL0177

CAT: 0013-GTR19269736-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269736-02Size:5 mg
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Description
Compound FL0177, with CAS No. 1523570-93-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0177 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
1523570-93-5
Purity
97.75% (May vary between batches)
Smiles
Cc1ncc (cc1[N+] ([O-]) =O) C (O) =O
Molecular Formula
C7H6N2O4
Molecular Weight
182.135
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Methyl-5-nitronicotinic acid
CAS Number1523570-93-5
PubChem CID19808313
IUPAC Name6-methyl-5-nitropyridine-3-carboxylic acid
Molecular FormulaC7H6N2O4
Molecular Weight182.13
XLogP0.6
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity225
SMILES
CC1=C(C=C(C=N1)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-4-6(9(12)13)2-5(3-8-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
GEVUGWURIMZLKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-5-nitronicotinic acid
CAS: 1523570-93-5
CID: 19808313
Formula: C7H6N2O4
MW: 182.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.13
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass182.03275668
Monoisotopic Mass182.03275668
Topological Polar Surface Area96 Ų
Heavy Atom Count13
Formal Charge0
Complexity225
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
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GTR19269738-01Compound FL0179
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GTR19269731-01Compound FL0167 (SC)
GTR19269741-01Compound FL0188
GTR19269739-01Compound FL0180
GTR19269730-01Compound FL0164
GTR19269728-01Compound FL0161

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