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2-Hydroxy-5-nitropyridine

CAT: 0926-FH06259-03Size: 500 gDry Ice: NoHazardous: No
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CAT#:0926-FH06259-03Size:500 g
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CAS Number
5418-51-9
Synonyms
5-Nitro-2-hydroxypyridine
MDL Number
MFCD00006276
Smiles
C1=CC (=O) NC=C1[N+] (=O) [O-]
Molecular Formula
C5H4N2O3
Molecular Weight
140.1 g/mol
Controlled
No

Chemical Information

5-Nitropyridin-2-ol
CAS Number5418-51-9
PubChem CID79453
IUPAC Name5-nitro-1H-pyridin-2-one
Molecular FormulaC5H4N2O3
Molecular Weight140.10
XLogP-0.2
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity236
SMILES
C1=CC(=O)NC=C1[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8)
InChIKey
XKWSQIMYNVLGBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitropyridin-2-ol
CAS: 5418-51-9
CID: 79453
Formula: C5H4N2O3
MW: 140.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight140.10
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass140.02219199
Monoisotopic Mass140.02219199
Topological Polar Surface Area74.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity236
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