3-(2-hydroxyethylamino)-2-nitrophenol

C8H10N2O4 — CID 18984055

IUPAC3-(2-hydroxyethylamino)-2-nitrophenol
SMILESO=[N+]([O-])c1c(O)cccc1NCCO
InChIInChI=1S/C8H10N2O4/c11-5-4-9-6-2-1-3-7(12)8(6)10(13)14/h1-3,9,11-12H,4-5H2
InChIKeyAYASJSWJRKNXCH-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.70
Rot. Bonds4

About 3-(2-hydroxyethylamino)-2-nitrophenol

3-(2-hydroxyethylamino)-2-nitrophenol (PubChem CID 18984055) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-2-nitrophenol.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-2-nitrophenol
PubChem CID18984055
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-(2-hydroxyethylamino)-2-nitrophenol
SMILESO=[N+]([O-])c1c(O)cccc1NCCO
InChIInChI=1S/C8H10N2O4/c11-5-4-9-6-2-1-3-7(12)8(6)10(13)14/h1-3,9,11-12H,4-5H2
InChIKeyAYASJSWJRKNXCH-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-hydroxyethylamino)-2-nitroanilino]ethanol;2-nitrobenzene-1,3-diamine
CID 21278587
2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol
CID 54067877
2-[2-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol
CID 138985927
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
5-[3-(methylamino)-2-nitroanilino]pentan-1-ol
CID 107324203
3-(2-hydroxyethylamino)benzene-1,2-diol
CID 70502073
lead(2+);2-nitrobenzene-1,3-diol
CID 21125062
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
3-[2-(3-chloro-2-nitroanilino)ethylsulfanyl]propan-1-ol
CID 113464426
2-[1-[[2-nitro-3-(propylamino)anilino]methyl]cyclopropyl]ethanol
CID 114759529
4-(2-nitro-3-propan-2-yloxyanilino)butan-1-ol
CID 106842771

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-2-nitrophenol?
The IUPAC name of 3-(2-hydroxyethylamino)-2-nitrophenol (CID 18984055) is 3-(2-hydroxyethylamino)-2-nitrophenol.
What is the SMILES notation for 3-(2-hydroxyethylamino)-2-nitrophenol?
The canonical SMILES for 3-(2-hydroxyethylamino)-2-nitrophenol is O=[N+]([O-])c1c(O)cccc1NCCO.
What is the InChIKey of 3-(2-hydroxyethylamino)-2-nitrophenol?
The InChIKey is AYASJSWJRKNXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-5-4-9-6-2-1-3-7(12)8(6)10(13)14/h1-3,9,11-12H,4-5H2.
What are the key properties of 3-(2-hydroxyethylamino)-2-nitrophenol?
3-(2-hydroxyethylamino)-2-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 3-(2-hydroxyethylamino)-2-nitrophenol is sourced from PubChem (CID 18984055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).