2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol

C12H8I2N2O — CID 3640337

IUPAC2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
SMILESOc1c(I)cc(I)cc1C=Nc1ccccn1
InChIInChI=1S/C12H8I2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-7,17H
InChIKeyUMJNRKBUSKBBPL-UHFFFAOYSA-N
MW450.02 g/mol
LogP3.75
Rot. Bonds2

About 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol

2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol (PubChem CID 3640337) has the molecular formula C12H8I2N2O and a molecular weight of 450.02 g/mol. Its IUPAC name is 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
PubChem CID3640337
Molecular FormulaC12H8I2N2O
Molecular Weight450.02 g/mol
Exact Mass449.87
IUPAC Name2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
SMILESOc1c(I)cc(I)cc1C=Nc1ccccn1
InChIInChI=1S/C12H8I2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-7,17H
InChIKeyUMJNRKBUSKBBPL-UHFFFAOYSA-N
XLogP3.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.02
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol?
The IUPAC name of 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol (CID 3640337) is 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol.
What is the SMILES notation for 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol?
The canonical SMILES for 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol is Oc1c(I)cc(I)cc1C=Nc1ccccn1.
What is the InChIKey of 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol?
The InChIKey is UMJNRKBUSKBBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8I2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-7,17H.
What are the key properties of 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol?
2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol has a molecular weight of 450.02 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol is sourced from PubChem (CID 3640337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).