2-(2-nitro-1H-imidazol-5-yl)ethanol

C5H7N3O3 — CID 54077026

IUPAC2-(2-nitro-1H-imidazol-5-yl)ethanol
SMILESO=[N+]([O-])c1ncc(CCO)[nH]1
InChIInChI=1S/C5H7N3O3/c9-2-1-4-3-6-5(7-4)8(10)11/h3,9H,1-2H2,(H,6,7)
InChIKeyMKKSUNKLSSEXNE-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.15
Rot. Bonds3

About 2-(2-nitro-1H-imidazol-5-yl)ethanol

2-(2-nitro-1H-imidazol-5-yl)ethanol (PubChem CID 54077026) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(2-nitro-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-nitro-1H-imidazol-5-yl)ethanol
PubChem CID54077026
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-(2-nitro-1H-imidazol-5-yl)ethanol
SMILESO=[N+]([O-])c1ncc(CCO)[nH]1
InChIInChI=1S/C5H7N3O3/c9-2-1-4-3-6-5(7-4)8(10)11/h3,9H,1-2H2,(H,6,7)
InChIKeyMKKSUNKLSSEXNE-UHFFFAOYSA-N
XLogP-0.15
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-nitro-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(2-nitro-1H-imidazol-5-yl)ethanol (CID 54077026) is 2-(2-nitro-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-nitro-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(2-nitro-1H-imidazol-5-yl)ethanol is O=[N+]([O-])c1ncc(CCO)[nH]1.
What is the InChIKey of 2-(2-nitro-1H-imidazol-5-yl)ethanol?
The InChIKey is MKKSUNKLSSEXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-2-1-4-3-6-5(7-4)8(10)11/h3,9H,1-2H2,(H,6,7).
What are the key properties of 2-(2-nitro-1H-imidazol-5-yl)ethanol?
2-(2-nitro-1H-imidazol-5-yl)ethanol has a molecular weight of 157.13 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 54077026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).