sodium;4-(2,4-dinitrophenyl)phenol;hydride

C12H9N2NaO5 — CID 174918783

IUPACsodium;4-(2,4-dinitrophenyl)phenol;hydride
SMILESO=[N+]([O-])c1ccc(-c2ccc(O)cc2)c([N+](=O)[O-])c1.[H-].[Na+]
InChIInChI=1S/C12H8N2O5.Na.H/c15-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)14(18)19;;/h1-7,15H;;/q;+1;-1
InChIKeyANYDQBDJSNAEFA-UHFFFAOYSA-N
MW284.20 g/mol
LogP-0.01
Rot. Bonds3

About sodium;4-(2,4-dinitrophenyl)phenol;hydride

sodium;4-(2,4-dinitrophenyl)phenol;hydride (PubChem CID 174918783) has the molecular formula C12H9N2NaO5 and a molecular weight of 284.20 g/mol. Its IUPAC name is sodium;4-(2,4-dinitrophenyl)phenol;hydride.

Molecular Properties

Compound Namesodium;4-(2,4-dinitrophenyl)phenol;hydride
PubChem CID174918783
Molecular FormulaC12H9N2NaO5
Molecular Weight284.20 g/mol
Exact Mass284.04
IUPAC Namesodium;4-(2,4-dinitrophenyl)phenol;hydride
SMILESO=[N+]([O-])c1ccc(-c2ccc(O)cc2)c([N+](=O)[O-])c1.[H-].[Na+]
InChIInChI=1S/C12H8N2O5.Na.H/c15-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)14(18)19;;/h1-7,15H;;/q;+1;-1
InChIKeyANYDQBDJSNAEFA-UHFFFAOYSA-N
XLogP-0.01
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(2,4-dinitrophenyl)benzoic acid
CID 57346496
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
2-(4-hydroxyphenyl)-5-nitrobenzonitrile
CID 23508482
8-nitrotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaen-4-ol
CID 56622147
calcium;hydride;4-nitrophenol
CID 173414286
3-methyl-4-(4-nitrophenyl)phenol
CID 118072447
4-nitrophenol
CID 88714583
benzene-1,4-diol;2-methyl-1,3,5-trinitrobenzene
CID 88762858
4-nitrophenol;phosphane
CID 157153413
3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol
CID 123875570
4-(2-methyl-4,6-dinitrophenyl)phenol
CID 174957574
1-(3-bromophenyl)-2,4-dinitrobenzene
CID 174514177

Frequently Asked Questions

What is the IUPAC name of sodium;4-(2,4-dinitrophenyl)phenol;hydride?
The IUPAC name of sodium;4-(2,4-dinitrophenyl)phenol;hydride (CID 174918783) is sodium;4-(2,4-dinitrophenyl)phenol;hydride.
What is the SMILES notation for sodium;4-(2,4-dinitrophenyl)phenol;hydride?
The canonical SMILES for sodium;4-(2,4-dinitrophenyl)phenol;hydride is O=[N+]([O-])c1ccc(-c2ccc(O)cc2)c([N+](=O)[O-])c1.[H-].[Na+].
What is the InChIKey of sodium;4-(2,4-dinitrophenyl)phenol;hydride?
The InChIKey is ANYDQBDJSNAEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5.Na.H/c15-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)14(18)19;;/h1-7,15H;;/q;+1;-1.
What are the key properties of sodium;4-(2,4-dinitrophenyl)phenol;hydride?
sodium;4-(2,4-dinitrophenyl)phenol;hydride has a molecular weight of 284.20 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-(2,4-dinitrophenyl)phenol;hydride is sourced from PubChem (CID 174918783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).