4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol

C6H2F3I2NO2 — CID 131059755

IUPAC4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(OC(F)(F)F)ncc(I)c1I
InChIInChI=1S/C6H2F3I2NO2/c7-6(8,9)14-5-4(13)3(11)2(10)1-12-5/h1,13H
InChIKeyZMEOXERVPKRPSV-UHFFFAOYSA-N
MW430.89 g/mol
LogP2.89
Rot. Bonds1

About 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol

4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol (PubChem CID 131059755) has the molecular formula C6H2F3I2NO2 and a molecular weight of 430.89 g/mol. Its IUPAC name is 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
PubChem CID131059755
Molecular FormulaC6H2F3I2NO2
Molecular Weight430.89 g/mol
Exact Mass430.81
IUPAC Name4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(OC(F)(F)F)ncc(I)c1I
InChIInChI=1S/C6H2F3I2NO2/c7-6(8,9)14-5-4(13)3(11)2(10)1-12-5/h1,13H
InChIKeyZMEOXERVPKRPSV-UHFFFAOYSA-N
XLogP2.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(fluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111324
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111284
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134666162
4-bromo-5-fluoro-2-(trifluoromethoxy)pyridin-3-ol
CID 118851239
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134669439
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118817438
4-amino-5-(fluoromethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 118811668
methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660201
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000

Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol (CID 131059755) is 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol is Oc1c(OC(F)(F)F)ncc(I)c1I.
What is the InChIKey of 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is ZMEOXERVPKRPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3I2NO2/c7-6(8,9)14-5-4(13)3(11)2(10)1-12-5/h1,13H.
What are the key properties of 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol?
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 430.89 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 131059755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).