sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone

C8H8NNaO4 — CID 174839141

IUPACsodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone
SMILESO=C(CO)c1cccc([N+](=O)[O-])c1.[H-].[Na+]
InChIInChI=1S/C8H7NO4.Na.H/c10-5-8(11)6-2-1-3-7(4-6)9(12)13;;/h1-4,10H,5H2;;/q;+1;-1
InChIKeyQSEXDGORAQYRRM-UHFFFAOYSA-N
MW205.15 g/mol
LogP-2.11
Rot. Bonds3

About sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone

sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone (PubChem CID 174839141) has the molecular formula C8H8NNaO4 and a molecular weight of 205.15 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone.

Molecular Properties

Compound Namesodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone
PubChem CID174839141
Molecular FormulaC8H8NNaO4
Molecular Weight205.15 g/mol
Exact Mass205.04
IUPAC Namesodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone
SMILESO=C(CO)c1cccc([N+](=O)[O-])c1.[H-].[Na+]
InChIInChI=1S/C8H7NO4.Na.H/c10-5-8(11)6-2-1-3-7(4-6)9(12)13;;/h1-4,10H,5H2;;/q;+1;-1
InChIKeyQSEXDGORAQYRRM-UHFFFAOYSA-N
XLogP-2.11
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 5-2.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(3-nitrophenyl)ethanone
CID 7437
azane;2-bromo-1-(3-nitrophenyl)ethanone
CID 162313108
2-(dimethylamino)-1-(3-nitrophenyl)ethanone
CID 43219662
4-bromo-1-(3-nitrophenyl)butan-1-one
CID 146315331
3-nitrobenzoyl iodide
CID 87511250
1-(3-nitrophenyl)hexan-1-one
CID 12026868
4,4-difluoro-1-(3-nitrophenyl)butane-1,3-dione
CID 43118322
[2-(3-nitrophenyl)-2-oxoethyl] 3,5-dinitrobenzoate
CID 21177389
2-(3-hydroxypropylamino)-1-(3-nitrophenyl)ethanone
CID 82101589
1-(3-nitrophenyl)-2-pyridin-1-ium-1-ylethanone iodide
CID 2768642
1-(3-nitrophenyl)-2-pyrrolidin-1-ylethanone
CID 43219354
1-(3-nitrophenyl)-3-[4-[[3-(3-nitrophenyl)-3-oxopropyl]amino]anilino]propan-1-one
CID 100817189

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone?
The IUPAC name of sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone (CID 174839141) is sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone.
What is the SMILES notation for sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone?
The canonical SMILES for sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone is O=C(CO)c1cccc([N+](=O)[O-])c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone?
The InChIKey is QSEXDGORAQYRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.Na.H/c10-5-8(11)6-2-1-3-7(4-6)9(12)13;;/h1-4,10H,5H2;;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone?
sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone has a molecular weight of 205.15 g/mol, XLogP of -2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone is sourced from PubChem (CID 174839141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).