6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde

C14H8INO — CID 59154305

IUPAC6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C#Cc2ccc(I)cc2)nc1
InChIInChI=1S/C14H8INO/c15-13-5-1-11(2-6-13)3-7-14-8-4-12(10-17)9-16-14/h1-2,4-6,8-10H
InChIKeyZIPMDHYBUAYLKD-UHFFFAOYSA-N
MW333.13 g/mol
LogP2.90
Rot. Bonds1

About 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde

6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde (PubChem CID 59154305) has the molecular formula C14H8INO and a molecular weight of 333.13 g/mol. Its IUPAC name is 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde
PubChem CID59154305
Molecular FormulaC14H8INO
Molecular Weight333.13 g/mol
Exact Mass332.97
IUPAC Name6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C#Cc2ccc(I)cc2)nc1
InChIInChI=1S/C14H8INO/c15-13-5-1-11(2-6-13)3-7-14-8-4-12(10-17)9-16-14/h1-2,4-6,8-10H
InChIKeyZIPMDHYBUAYLKD-UHFFFAOYSA-N
XLogP2.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 52.90
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde (CID 59154305) is 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde is O=Cc1ccc(C#Cc2ccc(I)cc2)nc1.
What is the InChIKey of 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde?
The InChIKey is ZIPMDHYBUAYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8INO/c15-13-5-1-11(2-6-13)3-7-14-8-4-12(10-17)9-16-14/h1-2,4-6,8-10H.
What are the key properties of 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde?
6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde has a molecular weight of 333.13 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 59154305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).