(2-formyl-3-pyridinyl) hypoiodite

C6H4INO2 — CID 87756463

IUPAC(2-formyl-3-pyridinyl) hypoiodite
SMILESO=Cc1ncccc1OI
InChIInChI=1S/C6H4INO2/c7-10-6-2-1-3-8-5(6)4-9/h1-4H
InChIKeyHPDQDBKXBZFQFV-UHFFFAOYSA-N
MW249.01 g/mol
LogP1.62
Rot. Bonds2

About (2-formyl-3-pyridinyl) hypoiodite

(2-formyl-3-pyridinyl) hypoiodite (PubChem CID 87756463) has the molecular formula C6H4INO2 and a molecular weight of 249.01 g/mol. Its IUPAC name is (2-formyl-3-pyridinyl) hypoiodite.

Molecular Properties

Compound Name(2-formyl-3-pyridinyl) hypoiodite
PubChem CID87756463
Molecular FormulaC6H4INO2
Molecular Weight249.01 g/mol
Exact Mass248.93
IUPAC Name(2-formyl-3-pyridinyl) hypoiodite
SMILESO=Cc1ncccc1OI
InChIInChI=1S/C6H4INO2/c7-10-6-2-1-3-8-5(6)4-9/h1-4H
InChIKeyHPDQDBKXBZFQFV-UHFFFAOYSA-N
XLogP1.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.01
LogP ≤ 51.62
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 (2-formyl-3-pyridinyl) hypoiodite?
The IUPAC name of (2-formyl-3-pyridinyl) hypoiodite (CID 87756463) is (2-formyl-3-pyridinyl) hypoiodite.
What is the SMILES notation for (2-formyl-3-pyridinyl) hypoiodite?
The canonical SMILES for (2-formyl-3-pyridinyl) hypoiodite is O=Cc1ncccc1OI.
What is the InChIKey of (2-formyl-3-pyridinyl) hypoiodite?
The InChIKey is HPDQDBKXBZFQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4INO2/c7-10-6-2-1-3-8-5(6)4-9/h1-4H.
What are the key properties of (2-formyl-3-pyridinyl) hypoiodite?
(2-formyl-3-pyridinyl) hypoiodite has a molecular weight of 249.01 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-3-pyridinyl) hypoiodite is sourced from PubChem (CID 87756463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).