4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile

C7HF3I2N2O — CID 133095491

IUPAC4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)ncc(I)c1I
InChIInChI=1S/C7HF3I2N2O/c8-7(9,10)15-6-3(1-13)5(12)4(11)2-14-6/h2H
InChIKeyPLBDTCZEEKAQOR-UHFFFAOYSA-N
MW439.90 g/mol
LogP3.06
Rot. Bonds1

About 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile

4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133095491) has the molecular formula C7HF3I2N2O and a molecular weight of 439.90 g/mol. Its IUPAC name is 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133095491
Molecular FormulaC7HF3I2N2O
Molecular Weight439.90 g/mol
Exact Mass439.81
IUPAC Name4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)ncc(I)c1I
InChIInChI=1S/C7HF3I2N2O/c8-7(9,10)15-6-3(1-13)5(12)4(11)2-14-6/h2H
InChIKeyPLBDTCZEEKAQOR-UHFFFAOYSA-N
XLogP3.06
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
CID 131059755
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131464640
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
2-[5-iodo-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134663062
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667296
5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134666162
4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096108
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853
5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 129319143
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895

Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133095491) is 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(OC(F)(F)F)ncc(I)c1I.
What is the InChIKey of 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is PLBDTCZEEKAQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF3I2N2O/c8-7(9,10)15-6-3(1-13)5(12)4(11)2-14-6/h2H.
What are the key properties of 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 439.90 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).