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7-Nitroindazole

CAT: 0957-S5542-02Size: 1 gDry Ice: NoHazardous: No
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Description
7-Nitroindazole, a heterocyclic compound, acts as a selective inhibitor for neuronal nitric oxide synthase showing a 10-fold selectivity for neuronal NOS.
CAS Number
2942-42-9
Target
NOS
Activity
Immunology & Inflammation
Molecular Formula
C7H5N3O2
Storage Conditions
3 years -20°C powder

Chemical Information

7-Nitroindazole

7-nitroindazole is a member of the class of indazoles that is 1H-indazole substituted by a nitro group at position 7. It is a nitric oxide synthase (NOS) inhibitor. It has a role as an antinociceptive agent, an anxiolytic drug, an analgesic, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and a neuroprotective agent. It is a C-nitro compound and a member of indazoles.

CAS Number2942-42-9
PubChem CID1893
IUPAC Name7-nitro-1H-indazole
Molecular FormulaC7H5N3O2
Molecular Weight163.13
XLogP1.8
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity192
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2
InChI
InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChIKey
PQCAUHUKTBHUSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Nitroindazole
CAS: 2942-42-9
CID: 1893
Formula: C7H5N3O2
MW: 163.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.13
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.038176411
Monoisotopic Mass163.038176411
Topological Polar Surface Area74.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity192
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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