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Ethyl 2-hydroxy-5-nitronicotinate

CAT: 0024-sc-327228Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-327228Size:1 g
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CAS Number
156896-54-7

Chemical Information

Ethyl 2-hydroxy-5-nitronicotinate
CAS Number156896-54-7
PubChem CID14964923
IUPAC Nameethyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate
Molecular FormulaC8H8N2O5
Molecular Weight212.16
XLogP0.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity377
SMILES
CCOC(=O)C1=CC(=CNC1=O)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O5/c1-2-15-8(12)6-3-5(10(13)14)4-9-7(6)11/h3-4H,2H2,1H3,(H,9,11)
InChIKey
FRPVIVOIVRFMPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-hydroxy-5-nitronicotinate
CAS: 156896-54-7
CID: 14964923
Formula: C8H8N2O5
MW: 212.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.16
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass212.04332136
Monoisotopic Mass212.04332136
Topological Polar Surface Area101 Ų
Heavy Atom Count15
Formal Charge0
Complexity377
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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OR01969-01Ethyl 4,6-dichloro-5-nitronicotinate
OR01968Ethyl 4,6-dihydroxy-5-nitronicotinate
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