sodium;hydride;2-methoxy-5-nitrophenol

C7H8NNaO4 — CID 173002361

IUPACsodium;hydride;2-methoxy-5-nitrophenol
SMILESCOc1ccc([N+](=O)[O-])cc1O.[H-].[Na+]
InChIInChI=1S/C7H7NO4.Na.H/c1-12-7-3-2-5(8(10)11)4-6(7)9;;/h2-4,9H,1H3;;/q;+1;-1
InChIKeyOBUNIQOZSPKVCJ-UHFFFAOYSA-N
MW193.13 g/mol
LogP-1.57
Rot. Bonds2

About sodium;hydride;2-methoxy-5-nitrophenol

sodium;hydride;2-methoxy-5-nitrophenol (PubChem CID 173002361) has the molecular formula C7H8NNaO4 and a molecular weight of 193.13 g/mol. Its IUPAC name is sodium;hydride;2-methoxy-5-nitrophenol.

Molecular Properties

Compound Namesodium;hydride;2-methoxy-5-nitrophenol
PubChem CID173002361
Molecular FormulaC7H8NNaO4
Molecular Weight193.13 g/mol
Exact Mass193.04
IUPAC Namesodium;hydride;2-methoxy-5-nitrophenol
SMILESCOc1ccc([N+](=O)[O-])cc1O.[H-].[Na+]
InChIInChI=1S/C7H7NO4.Na.H/c1-12-7-3-2-5(8(10)11)4-6(7)9;;/h2-4,9H,1H3;;/q;+1;-1
InChIKeyOBUNIQOZSPKVCJ-UHFFFAOYSA-N
XLogP-1.57
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 5-1.57
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

ethane;2-methoxy-4-nitrophenol
CID 91188946
3-hydroxy-4-methoxybenzaldehyde;4-nitrobenzaldehyde
CID 87894032
2-(1-hydroxyethoxy)-5-nitrophenol
CID 67929742
dichloromethane;2-methoxy-4-nitrophenol
CID 141183892
2-methoxy-4-nitrophenol;phosphoric acid
CID 174688966
1-fluoro-2-methoxy-4-nitrobenzene;2-fluoro-5-nitrophenol;iodomethane
CID 159872885
2-butoxy-5-nitrophenol
CID 141158099
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
5-[(2-fluoro-4-nitroanilino)methyl]-2-methoxyphenol
CID 60964784
4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol
CID 147971666
(2-methoxy-5-nitrophenyl) hydrogen sulfate
CID 91556301

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-methoxy-5-nitrophenol?
The IUPAC name of sodium;hydride;2-methoxy-5-nitrophenol (CID 173002361) is sodium;hydride;2-methoxy-5-nitrophenol.
What is the SMILES notation for sodium;hydride;2-methoxy-5-nitrophenol?
The canonical SMILES for sodium;hydride;2-methoxy-5-nitrophenol is COc1ccc([N+](=O)[O-])cc1O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methoxy-5-nitrophenol?
The InChIKey is OBUNIQOZSPKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.Na.H/c1-12-7-3-2-5(8(10)11)4-6(7)9;;/h2-4,9H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-methoxy-5-nitrophenol?
sodium;hydride;2-methoxy-5-nitrophenol has a molecular weight of 193.13 g/mol, XLogP of -1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methoxy-5-nitrophenol is sourced from PubChem (CID 173002361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).