5-(hydroxymethyl)-2-iodopyridin-3-ol

C6H6INO2 — CID 58053713

IUPAC5-(hydroxymethyl)-2-iodopyridin-3-ol
SMILESOCc1cnc(I)c(O)c1
InChIInChI=1S/C6H6INO2/c7-6-5(10)1-4(3-9)2-8-6/h1-2,9-10H,3H2
InChIKeyRUWILFAIBXUFQY-UHFFFAOYSA-N
MW251.02 g/mol
LogP0.88
Rot. Bonds1

About 5-(hydroxymethyl)-2-iodopyridin-3-ol

5-(hydroxymethyl)-2-iodopyridin-3-ol (PubChem CID 58053713) has the molecular formula C6H6INO2 and a molecular weight of 251.02 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-iodopyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-iodopyridin-3-ol
PubChem CID58053713
Molecular FormulaC6H6INO2
Molecular Weight251.02 g/mol
Exact Mass250.94
IUPAC Name5-(hydroxymethyl)-2-iodopyridin-3-ol
SMILESOCc1cnc(I)c(O)c1
InChIInChI=1S/C6H6INO2/c7-6-5(10)1-4(3-9)2-8-6/h1-2,9-10H,3H2
InChIKeyRUWILFAIBXUFQY-UHFFFAOYSA-N
XLogP0.88
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 50.88
H-Bond Donors ≤ 52
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 5-(hydroxymethyl)-2-iodopyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-iodopyridin-3-ol (CID 58053713) is 5-(hydroxymethyl)-2-iodopyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-iodopyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-iodopyridin-3-ol is OCc1cnc(I)c(O)c1.
What is the InChIKey of 5-(hydroxymethyl)-2-iodopyridin-3-ol?
The InChIKey is RUWILFAIBXUFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO2/c7-6-5(10)1-4(3-9)2-8-6/h1-2,9-10H,3H2.
What are the key properties of 5-(hydroxymethyl)-2-iodopyridin-3-ol?
5-(hydroxymethyl)-2-iodopyridin-3-ol has a molecular weight of 251.02 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-iodopyridin-3-ol is sourced from PubChem (CID 58053713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).