2-amino-4-(2-hydroxyethyl)-3-nitrophenol

C8H10N2O4 — CID 66824599

IUPAC2-amino-4-(2-hydroxyethyl)-3-nitrophenol
SMILESNc1c(O)ccc(CCO)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4/c9-7-6(12)2-1-5(3-4-11)8(7)10(13)14/h1-2,11-12H,3-4,9H2
InChIKeyMPGFDYDCTBHZQG-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.42
Rot. Bonds3

About 2-amino-4-(2-hydroxyethyl)-3-nitrophenol

2-amino-4-(2-hydroxyethyl)-3-nitrophenol (PubChem CID 66824599) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxyethyl)-3-nitrophenol.

Molecular Properties

Compound Name2-amino-4-(2-hydroxyethyl)-3-nitrophenol
PubChem CID66824599
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-amino-4-(2-hydroxyethyl)-3-nitrophenol
SMILESNc1c(O)ccc(CCO)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4/c9-7-6(12)2-1-5(3-4-11)8(7)10(13)14/h1-2,11-12H,3-4,9H2
InChIKeyMPGFDYDCTBHZQG-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxyethyl)-3-nitrophenol?
The IUPAC name of 2-amino-4-(2-hydroxyethyl)-3-nitrophenol (CID 66824599) is 2-amino-4-(2-hydroxyethyl)-3-nitrophenol.
What is the SMILES notation for 2-amino-4-(2-hydroxyethyl)-3-nitrophenol?
The canonical SMILES for 2-amino-4-(2-hydroxyethyl)-3-nitrophenol is Nc1c(O)ccc(CCO)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-(2-hydroxyethyl)-3-nitrophenol?
The InChIKey is MPGFDYDCTBHZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-7-6(12)2-1-5(3-4-11)8(7)10(13)14/h1-2,11-12H,3-4,9H2.
What are the key properties of 2-amino-4-(2-hydroxyethyl)-3-nitrophenol?
2-amino-4-(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-4-(2-hydroxyethyl)-3-nitrophenol is sourced from PubChem (CID 66824599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).