2-(2-hydroxyethylamino)-5-nitrophenol

C8H10N2O4 — CID 12537917

IUPAC2-(2-hydroxyethylamino)-5-nitrophenol
SMILESO=[N+]([O-])c1ccc(NCCO)c(O)c1
InChIInChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(10(13)14)5-8(7)12/h1-2,5,9,11-12H,3-4H2
InChIKeyYUNHBAIHRNIODP-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.70
Rot. Bonds4

About 2-(2-hydroxyethylamino)-5-nitrophenol

2-(2-hydroxyethylamino)-5-nitrophenol (PubChem CID 12537917) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-5-nitrophenol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-5-nitrophenol
PubChem CID12537917
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2-hydroxyethylamino)-5-nitrophenol
SMILESO=[N+]([O-])c1ccc(NCCO)c(O)c1
InChIInChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(10(13)14)5-8(7)12/h1-2,5,9,11-12H,3-4H2
InChIKeyYUNHBAIHRNIODP-UHFFFAOYSA-N
XLogP0.70
TPSA95.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-Amino-5-Nitrophenol
CID 4984721
HC Yellow 4
CID 62158
2-(Bis(2-hydroxyethyl)amino)-5-nitrophenol
CID 40411
5-Morpholino-2-nitrophenol
CID 2799399
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
CID 3618472
5-Diethylamino-2-nitrosophenol hydrochloride
CID 33253
4-Hydroxypropylamino-3-Nitrophenol
CID 5463795
4-[(2-Hydroxyethyl)amino]-3-nitrophenol
CID 5488102
2-Hydroxyethyl picramic acid
CID 5463814
Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-4-nitrophenyl)-
CID 5464597
5-(Diethylamino)-2-nitrosophenol
CID 22825
2-((2-Methoxy-4-nitrophenyl)amino)ethanol
CID 3017645

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-5-nitrophenol?
The IUPAC name of 2-(2-hydroxyethylamino)-5-nitrophenol (CID 12537917) is 2-(2-hydroxyethylamino)-5-nitrophenol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-5-nitrophenol?
The canonical SMILES for 2-(2-hydroxyethylamino)-5-nitrophenol is O=[N+]([O-])c1ccc(NCCO)c(O)c1.
What is the InChIKey of 2-(2-hydroxyethylamino)-5-nitrophenol?
The InChIKey is YUNHBAIHRNIODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(10(13)14)5-8(7)12/h1-2,5,9,11-12H,3-4H2.
What are the key properties of 2-(2-hydroxyethylamino)-5-nitrophenol?
2-(2-hydroxyethylamino)-5-nitrophenol has a molecular weight of 198.18 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-5-nitrophenol is sourced from PubChem (CID 12537917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).