3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one

C7H8INO2 — CID 170115876

IUPAC3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(I)ccc1CCO
InChIInChI=1S/C7H8INO2/c8-6-2-1-5(3-4-10)7(11)9-6/h1-2,10H,3-4H2,(H,9,11)
InChIKeyMUUNPVUUOUKOHP-UHFFFAOYSA-N
MW265.05 g/mol
LogP0.51
Rot. Bonds2

About 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one

3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one (PubChem CID 170115876) has the molecular formula C7H8INO2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one
PubChem CID170115876
Molecular FormulaC7H8INO2
Molecular Weight265.05 g/mol
Exact Mass264.96
IUPAC Name3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(I)ccc1CCO
InChIInChI=1S/C7H8INO2/c8-6-2-1-5(3-4-10)7(11)9-6/h1-2,10H,3-4H2,(H,9,11)
InChIKeyMUUNPVUUOUKOHP-UHFFFAOYSA-N
XLogP0.51
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one (CID 170115876) is 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one is O=c1[nH]c(I)ccc1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one?
The InChIKey is MUUNPVUUOUKOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2/c8-6-2-1-5(3-4-10)7(11)9-6/h1-2,10H,3-4H2,(H,9,11).
What are the key properties of 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one?
3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one has a molecular weight of 265.05 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-iodo-1H-pyridin-2-one is sourced from PubChem (CID 170115876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).