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5-Fluoro-2-hydroxy-3-nitropyridine

CAT: 0127-PC8393-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC8393-01Size:1 g
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CAS Number
136888-20-5
Synonyms
5-Fluoro-3-nitropyridin-2-ol
MDL Number
MFCD05662412
Purity
=95%
Smiles
Oc1ncc(F)cc1[N+](=O)[O-]

Chemical Information

5-Fluoro-2-hydroxy-3-nitropyridine
CAS Number136888-20-5
PubChem CID10583047
IUPAC Name5-fluoro-3-nitro-1H-pyridin-2-one
Molecular FormulaC5H3FN2O3
Molecular Weight158.09
XLogP0.1
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity276
SMILES
C1=C(C(=O)NC=C1F)[N+](=O)[O-]
InChI
InChI=1S/C5H3FN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)
InChIKey
BLFUHTOZIOQGBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-2-hydroxy-3-nitropyridine
CAS: 136888-20-5
CID: 10583047
Formula: C5H3FN2O3
MW: 158.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.09
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass158.01277012
Monoisotopic Mass158.01277012
Topological Polar Surface Area74.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity276
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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