4-(methylamino)-2,6-dinitrophenol

C7H7N3O5 — CID 5483985

IUPAC4-(methylamino)-2,6-dinitrophenol
SMILESCNc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O5/c1-8-4-2-5(9(12)13)7(11)6(3-4)10(14)15/h2-3,8,11H,1H3
InChIKeyRHHQGGGEFAQZLY-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.25
Rot. Bonds3

About 4-(methylamino)-2,6-dinitrophenol

4-(methylamino)-2,6-dinitrophenol (PubChem CID 5483985) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is 4-(methylamino)-2,6-dinitrophenol.

Molecular Properties

Compound Name4-(methylamino)-2,6-dinitrophenol
PubChem CID5483985
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC Name4-(methylamino)-2,6-dinitrophenol
SMILESCNc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O5/c1-8-4-2-5(9(12)13)7(11)6(3-4)10(14)15/h2-3,8,11H,1H3
InChIKeyRHHQGGGEFAQZLY-UHFFFAOYSA-N
XLogP1.25
TPSA118.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxy-3,5-dinitroanilino)ethane-1,1-diol
CID 19042665
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
titanium;2,4,6-trinitrophenol
CID 175328132
CID 87277719
CID 87277719
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136
barium(2+);hydride;2,4,6-trinitrophenol
CID 173341172
2,4,6-trinitrobenzene-1,3-diol
CID 20534541

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2,6-dinitrophenol?
The IUPAC name of 4-(methylamino)-2,6-dinitrophenol (CID 5483985) is 4-(methylamino)-2,6-dinitrophenol.
What is the SMILES notation for 4-(methylamino)-2,6-dinitrophenol?
The canonical SMILES for 4-(methylamino)-2,6-dinitrophenol is CNc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(methylamino)-2,6-dinitrophenol?
The InChIKey is RHHQGGGEFAQZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5/c1-8-4-2-5(9(12)13)7(11)6(3-4)10(14)15/h2-3,8,11H,1H3.
What are the key properties of 4-(methylamino)-2,6-dinitrophenol?
4-(methylamino)-2,6-dinitrophenol has a molecular weight of 213.15 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2,6-dinitrophenol is sourced from PubChem (CID 5483985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).