2-(4-nitroimidazol-1-yl)ethanol

C5H7N3O3 — CID 2783816

IUPAC2-(4-nitroimidazol-1-yl)ethanol
SMILESO=[N+]([O-])c1cn(CCO)cn1
InChIInChI=1S/C5H7N3O3/c9-2-1-7-3-5(6-4-7)8(10)11/h3-4,9H,1-2H2
InChIKeyNIHGAGCAEFVICG-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.22
Rot. Bonds3

About 2-(4-nitroimidazol-1-yl)ethanol

2-(4-nitroimidazol-1-yl)ethanol (PubChem CID 2783816) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(4-nitroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-nitroimidazol-1-yl)ethanol
PubChem CID2783816
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-(4-nitroimidazol-1-yl)ethanol
SMILESO=[N+]([O-])c1cn(CCO)cn1
InChIInChI=1S/C5H7N3O3/c9-2-1-7-3-5(6-4-7)8(10)11/h3-4,9H,1-2H2
InChIKeyNIHGAGCAEFVICG-UHFFFAOYSA-N
XLogP-0.22
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitroimidazol-1-yl)ethanol?
The IUPAC name of 2-(4-nitroimidazol-1-yl)ethanol (CID 2783816) is 2-(4-nitroimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-nitroimidazol-1-yl)ethanol?
The canonical SMILES for 2-(4-nitroimidazol-1-yl)ethanol is O=[N+]([O-])c1cn(CCO)cn1.
What is the InChIKey of 2-(4-nitroimidazol-1-yl)ethanol?
The InChIKey is NIHGAGCAEFVICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-2-1-7-3-5(6-4-7)8(10)11/h3-4,9H,1-2H2.
What are the key properties of 2-(4-nitroimidazol-1-yl)ethanol?
2-(4-nitroimidazol-1-yl)ethanol has a molecular weight of 157.13 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitroimidazol-1-yl)ethanol is sourced from PubChem (CID 2783816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).