sodium;hydride;3-nitro-2-phenylphenol

C12H10NNaO3 — CID 175105710

IUPACsodium;hydride;3-nitro-2-phenylphenol
SMILESO=[N+]([O-])c1cccc(O)c1-c1ccccc1.[H-].[Na+]
InChIInChI=1S/C12H9NO3.Na.H/c14-11-8-4-7-10(13(15)16)12(11)9-5-2-1-3-6-9;;/h1-8,14H;;/q;+1;-1
InChIKeyOPRURPJXPWHRAH-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.08
Rot. Bonds2

About sodium;hydride;3-nitro-2-phenylphenol

sodium;hydride;3-nitro-2-phenylphenol (PubChem CID 175105710) has the molecular formula C12H10NNaO3 and a molecular weight of 239.21 g/mol. Its IUPAC name is sodium;hydride;3-nitro-2-phenylphenol.

Molecular Properties

Compound Namesodium;hydride;3-nitro-2-phenylphenol
PubChem CID175105710
Molecular FormulaC12H10NNaO3
Molecular Weight239.21 g/mol
Exact Mass239.06
IUPAC Namesodium;hydride;3-nitro-2-phenylphenol
SMILESO=[N+]([O-])c1cccc(O)c1-c1ccccc1.[H-].[Na+]
InChIInChI=1S/C12H9NO3.Na.H/c14-11-8-4-7-10(13(15)16)12(11)9-5-2-1-3-6-9;;/h1-8,14H;;/q;+1;-1
InChIKeyOPRURPJXPWHRAH-UHFFFAOYSA-N
XLogP0.08
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

disodium;hydride;2-nitrophenol
CID 174745512
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
3,4,5-trinitro-2-phenylphenol
CID 87364984
N-hydroxy-3-nitro-2-phenylbenzamide
CID 173392497
4-(2,6-dinitrophenyl)benzoic acid
CID 150181338
3-nitro-2-(2-propan-2-ylphenyl)phenol
CID 150628369
methanol;2-nitrophenol
CID 157303764
2-nitro-4-phenylphenol
CID 13447
4-nitro-2,3,5,6-tetraphenylphenol
CID 118436800
sodium;hydride;2-nitrobenzoic acid
CID 173210089
2-ethenyl-3-nitrophenol
CID 10583166
molecular hydrogen;2-nitrophenol;phenol;hydrochloride
CID 174404115

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-nitro-2-phenylphenol?
The IUPAC name of sodium;hydride;3-nitro-2-phenylphenol (CID 175105710) is sodium;hydride;3-nitro-2-phenylphenol.
What is the SMILES notation for sodium;hydride;3-nitro-2-phenylphenol?
The canonical SMILES for sodium;hydride;3-nitro-2-phenylphenol is O=[N+]([O-])c1cccc(O)c1-c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-nitro-2-phenylphenol?
The InChIKey is OPRURPJXPWHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3.Na.H/c14-11-8-4-7-10(13(15)16)12(11)9-5-2-1-3-6-9;;/h1-8,14H;;/q;+1;-1.
What are the key properties of sodium;hydride;3-nitro-2-phenylphenol?
sodium;hydride;3-nitro-2-phenylphenol has a molecular weight of 239.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-nitro-2-phenylphenol is sourced from PubChem (CID 175105710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).