1-(2-hydroxyethyl)-2-iodopyridin-4-one

C7H8INO2 — CID 70208393

IUPAC1-(2-hydroxyethyl)-2-iodopyridin-4-one
SMILESO=c1ccn(CCO)c(I)c1
InChIInChI=1S/C7H8INO2/c8-7-5-6(11)1-2-9(7)3-4-10/h1-2,5,10H,3-4H2
InChIKeyNARPBGRFNLVNST-UHFFFAOYSA-N
MW265.05 g/mol
LogP0.45
Rot. Bonds2

About 1-(2-hydroxyethyl)-2-iodopyridin-4-one

1-(2-hydroxyethyl)-2-iodopyridin-4-one (PubChem CID 70208393) has the molecular formula C7H8INO2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-iodopyridin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-iodopyridin-4-one
PubChem CID70208393
Molecular FormulaC7H8INO2
Molecular Weight265.05 g/mol
Exact Mass264.96
IUPAC Name1-(2-hydroxyethyl)-2-iodopyridin-4-one
SMILESO=c1ccn(CCO)c(I)c1
InChIInChI=1S/C7H8INO2/c8-7-5-6(11)1-2-9(7)3-4-10/h1-2,5,10H,3-4H2
InChIKeyNARPBGRFNLVNST-UHFFFAOYSA-N
XLogP0.45
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-hydroxyethyl)-2-iodopyridin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-2-iodopyridin-4-one (CID 70208393) is 1-(2-hydroxyethyl)-2-iodopyridin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-iodopyridin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-2-iodopyridin-4-one is O=c1ccn(CCO)c(I)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-2-iodopyridin-4-one?
The InChIKey is NARPBGRFNLVNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2/c8-7-5-6(11)1-2-9(7)3-4-10/h1-2,5,10H,3-4H2.
What are the key properties of 1-(2-hydroxyethyl)-2-iodopyridin-4-one?
1-(2-hydroxyethyl)-2-iodopyridin-4-one has a molecular weight of 265.05 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-iodopyridin-4-one is sourced from PubChem (CID 70208393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).