2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol

C8H9N3O6 — CID 91156521

IUPAC2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol
SMILESNc1c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c1CCO
InChIInChI=1S/C8H9N3O6/c9-7-4(1-2-12)5(10(14)15)3-6(8(7)13)11(16)17/h3,12-13H,1-2,9H2
InChIKeyUONVCLAVROAFCS-UHFFFAOYSA-N
MW243.17 g/mol
LogP0.33
Rot. Bonds4

About 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol

2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol (PubChem CID 91156521) has the molecular formula C8H9N3O6 and a molecular weight of 243.17 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol.

Molecular Properties

Compound Name2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol
PubChem CID91156521
Molecular FormulaC8H9N3O6
Molecular Weight243.17 g/mol
Exact Mass243.05
IUPAC Name2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol
SMILESNc1c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c1CCO
InChIInChI=1S/C8H9N3O6/c9-7-4(1-2-12)5(10(14)15)3-6(8(7)13)11(16)17/h3,12-13H,1-2,9H2
InChIKeyUONVCLAVROAFCS-UHFFFAOYSA-N
XLogP0.33
TPSA152.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-(3-amino-2-fluoro-6-nitrophenyl)ethanol
CID 20792213
2-amino-6-(2-hydroxyethyl)-3-nitrophenol
CID 67031897
2,4,6-trinitrobenzene-1,3-diol
CID 20534541
2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol
CID 150788680
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol
CID 173370701
2-ethoxy-4,6-dinitrobenzene-1,3-diol
CID 139703790
2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530
2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107714075
2-(2,6-difluoro-3-nitrophenyl)ethanol
CID 130047508
2,3-diethoxy-4,6-dinitrophenol
CID 156633172
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol?
The IUPAC name of 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol (CID 91156521) is 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol.
What is the SMILES notation for 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol?
The canonical SMILES for 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol is Nc1c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c1CCO.
What is the InChIKey of 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol?
The InChIKey is UONVCLAVROAFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O6/c9-7-4(1-2-12)5(10(14)15)3-6(8(7)13)11(16)17/h3,12-13H,1-2,9H2.
What are the key properties of 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol?
2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol has a molecular weight of 243.17 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol is sourced from PubChem (CID 91156521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).