2-amino-6-(2-hydroxyethyl)-3-nitrophenol

C8H10N2O4 — CID 67031897

IUPAC2-amino-6-(2-hydroxyethyl)-3-nitrophenol
SMILESNc1c([N+](=O)[O-])ccc(CCO)c1O
InChIInChI=1S/C8H10N2O4/c9-7-6(10(13)14)2-1-5(3-4-11)8(7)12/h1-2,11-12H,3-4,9H2
InChIKeyGBPLBBPALAGGMF-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.42
Rot. Bonds3

About 2-amino-6-(2-hydroxyethyl)-3-nitrophenol

2-amino-6-(2-hydroxyethyl)-3-nitrophenol (PubChem CID 67031897) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethyl)-3-nitrophenol.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethyl)-3-nitrophenol
PubChem CID67031897
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-amino-6-(2-hydroxyethyl)-3-nitrophenol
SMILESNc1c([N+](=O)[O-])ccc(CCO)c1O
InChIInChI=1S/C8H10N2O4/c9-7-6(10(13)14)2-1-5(3-4-11)8(7)12/h1-2,11-12H,3-4,9H2
InChIKeyGBPLBBPALAGGMF-UHFFFAOYSA-N
XLogP0.42
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4-ethyl-2-nitrophenyl)ethanol
CID 142998894
2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol
CID 91156521
2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647
3-amino-2-hydroxy-4-nitrobenzenesulfonic acid
CID 54315805
2-[4-(bromomethyl)-2-nitrophenyl]ethanol
CID 68828100
2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
CID 20792213
2-[3-amino-2-nitro-4-(trifluoromethyl)phenyl]ethanol
CID 54531347
2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530
azane;2-(2-hydroxyethyl)-5-nitrophenol
CID 19911095
1-(2-bromoethyl)-2-nitrobenzene;2-(2-nitrophenyl)ethanol
CID 160970428
1-(3-amino-2-iodo-4-nitrophenyl)ethanone
CID 171027277
2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107714075

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethyl)-3-nitrophenol?
The IUPAC name of 2-amino-6-(2-hydroxyethyl)-3-nitrophenol (CID 67031897) is 2-amino-6-(2-hydroxyethyl)-3-nitrophenol.
What is the SMILES notation for 2-amino-6-(2-hydroxyethyl)-3-nitrophenol?
The canonical SMILES for 2-amino-6-(2-hydroxyethyl)-3-nitrophenol is Nc1c([N+](=O)[O-])ccc(CCO)c1O.
What is the InChIKey of 2-amino-6-(2-hydroxyethyl)-3-nitrophenol?
The InChIKey is GBPLBBPALAGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-7-6(10(13)14)2-1-5(3-4-11)8(7)12/h1-2,11-12H,3-4,9H2.
What are the key properties of 2-amino-6-(2-hydroxyethyl)-3-nitrophenol?
2-amino-6-(2-hydroxyethyl)-3-nitrophenol has a molecular weight of 198.18 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethyl)-3-nitrophenol is sourced from PubChem (CID 67031897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).