6-(4-iodophenoxy)pyridine-3-carbaldehyde

C12H8INO2 — CID 80632740

IUPAC6-(4-iodophenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc(I)cc2)nc1
InChIInChI=1S/C12H8INO2/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-8H
InChIKeyXNNCZJUDFJLHOX-UHFFFAOYSA-N
MW325.11 g/mol
LogP3.29
Rot. Bonds3

About 6-(4-iodophenoxy)pyridine-3-carbaldehyde

6-(4-iodophenoxy)pyridine-3-carbaldehyde (PubChem CID 80632740) has the molecular formula C12H8INO2 and a molecular weight of 325.11 g/mol. Its IUPAC name is 6-(4-iodophenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-iodophenoxy)pyridine-3-carbaldehyde
PubChem CID80632740
Molecular FormulaC12H8INO2
Molecular Weight325.11 g/mol
Exact Mass324.96
IUPAC Name6-(4-iodophenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc(I)cc2)nc1
InChIInChI=1S/C12H8INO2/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-8H
InChIKeyXNNCZJUDFJLHOX-UHFFFAOYSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-iodophenoxy)pyridine-3-carbaldehyde (CID 80632740) is 6-(4-iodophenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-iodophenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-iodophenoxy)pyridine-3-carbaldehyde is O=Cc1ccc(Oc2ccc(I)cc2)nc1.
What is the InChIKey of 6-(4-iodophenoxy)pyridine-3-carbaldehyde?
The InChIKey is XNNCZJUDFJLHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8INO2/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-8H.
What are the key properties of 6-(4-iodophenoxy)pyridine-3-carbaldehyde?
6-(4-iodophenoxy)pyridine-3-carbaldehyde has a molecular weight of 325.11 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 80632740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).