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

C12H8INO — CID 24729737

IUPAC6-(4-iodophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(I)cc2)nc1
InChIInChI=1S/C12H8INO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-8H
InChIKeyUSEACEDDDOOVMV-UHFFFAOYSA-N
MW309.11 g/mol
LogP3.17
Rot. Bonds2

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

6-(4-iodophenyl)pyridine-3-carbaldehyde (PubChem CID 24729737) has the molecular formula C12H8INO and a molecular weight of 309.11 g/mol. Its IUPAC name is 6-(4-iodophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-iodophenyl)pyridine-3-carbaldehyde
PubChem CID24729737
Molecular FormulaC12H8INO
Molecular Weight309.11 g/mol
Exact Mass308.97
IUPAC Name6-(4-iodophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(I)cc2)nc1
InChIInChI=1S/C12H8INO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-8H
InChIKeyUSEACEDDDOOVMV-UHFFFAOYSA-N
XLogP3.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-iodophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-iodophenyl)pyridine-3-carbaldehyde (CID 24729737) is 6-(4-iodophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-iodophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-iodophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2ccc(I)cc2)nc1.
What is the InChIKey of 6-(4-iodophenyl)pyridine-3-carbaldehyde?
The InChIKey is USEACEDDDOOVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8INO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-8H.
What are the key properties of 6-(4-iodophenyl)pyridine-3-carbaldehyde?
6-(4-iodophenyl)pyridine-3-carbaldehyde has a molecular weight of 309.11 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 24729737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).