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3-Amino-2-nitropyridine

CAT: 0926-FA38255-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FA38255-01Size:250 g
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CAS Number
13269-19-7
MDL Number
MFCD00044102
Smiles
C1=CC (=C (N=C1) [N+] (=O) [O-]) N
Molecular Formula
C5H5N3O2
Molecular Weight
139.11 g/mol
Controlled
No

Chemical Information

2-Nitropyridin-3-amine
CAS Number13269-19-7
PubChem CID83281
IUPAC Name2-nitropyridin-3-amine
Molecular FormulaC5H5N3O2
Molecular Weight139.11
XLogP0.9
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1=CC(=C(N=C1)[N+](=O)[O-])N
InChI
InChI=1S/C5H5N3O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H,6H2
InChIKey
GZBKVUGZEAJYHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitropyridin-3-amine
CAS: 13269-19-7
CID: 83281
Formula: C5H5N3O2
MW: 139.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.11
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass139.038176411
Monoisotopic Mass139.038176411
Topological Polar Surface Area84.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
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