sodium;hydride;2-methyl-4,6-dinitrophenol

C7H7N2NaO5 — CID 173366474

IUPACsodium;hydride;2-methyl-4,6-dinitrophenol
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.[H-].[Na+]
InChIInChI=1S/C7H6N2O5.Na.H/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;;/h2-3,10H,1H3;;/q;+1;-1
InChIKeyVMUNFBPKLWIZGD-UHFFFAOYSA-N
MW222.13 g/mol
LogP-1.37
Rot. Bonds2

About sodium;hydride;2-methyl-4,6-dinitrophenol

sodium;hydride;2-methyl-4,6-dinitrophenol (PubChem CID 173366474) has the molecular formula C7H7N2NaO5 and a molecular weight of 222.13 g/mol. Its IUPAC name is sodium;hydride;2-methyl-4,6-dinitrophenol.

Molecular Properties

Compound Namesodium;hydride;2-methyl-4,6-dinitrophenol
PubChem CID173366474
Molecular FormulaC7H7N2NaO5
Molecular Weight222.13 g/mol
Exact Mass222.03
IUPAC Namesodium;hydride;2-methyl-4,6-dinitrophenol
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.[H-].[Na+]
InChIInChI=1S/C7H6N2O5.Na.H/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;;/h2-3,10H,1H3;;/q;+1;-1
InChIKeyVMUNFBPKLWIZGD-UHFFFAOYSA-N
XLogP-1.37
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 5-1.37
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

2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947
barium(2+);hydride;2,4,6-trinitrophenol
CID 173341172
2,6-dimethyl-4-nitrophenol;ethane;methane
CID 143297334
thorium;2,4,6-trinitrophenol
CID 88723018
cobalt;2,4,6-trinitrophenol
CID 88826081
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
titanium;2,4,6-trinitrophenol
CID 175328132
CID 87277719
CID 87277719
2-methyl-4,6-dinitrophenol;phenylhydrazine
CID 87772567
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-methyl-4,6-dinitrophenol?
The IUPAC name of sodium;hydride;2-methyl-4,6-dinitrophenol (CID 173366474) is sodium;hydride;2-methyl-4,6-dinitrophenol.
What is the SMILES notation for sodium;hydride;2-methyl-4,6-dinitrophenol?
The canonical SMILES for sodium;hydride;2-methyl-4,6-dinitrophenol is Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methyl-4,6-dinitrophenol?
The InChIKey is VMUNFBPKLWIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5.Na.H/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;;/h2-3,10H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-methyl-4,6-dinitrophenol?
sodium;hydride;2-methyl-4,6-dinitrophenol has a molecular weight of 222.13 g/mol, XLogP of -1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methyl-4,6-dinitrophenol is sourced from PubChem (CID 173366474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).