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3-Nitropyrazolo[1,5-a]pyridine

CAT: 0127-OR1001322-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1001322-01Size:100 mg
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CAS Number
19363-97-4
Purity
98%
Smiles
O=[N+]([O-])C1=C2N(C=CC=C2)N=C1

Chemical Information

3-Nitropyrazolo(1,5-a)pyridine
CAS Number19363-97-4
PubChem CID14361345
IUPAC Name3-nitropyrazolo[1,5-a]pyridine
Molecular FormulaC7H5N3O2
Molecular Weight163.13
XLogP0.9
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity192
SMILES
C1=CC2=C(C=NN2C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H5N3O2/c11-10(12)7-5-8-9-4-2-1-3-6(7)9/h1-5H
InChIKey
KFUYFMAYLGQJQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitropyrazolo(1,5-a)pyridine
CAS: 19363-97-4
CID: 14361345
Formula: C7H5N3O2
MW: 163.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.13
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.038176411
Monoisotopic Mass163.038176411
Topological Polar Surface Area63.1 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