5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile

C7H2F3IN2O — CID 129319143

IUPAC5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(I)c(OC(F)(F)F)n1
InChIInChI=1S/C7H2F3IN2O/c8-7(9,10)14-6-5(11)2-1-4(3-12)13-6/h1-2H
InChIKeyCOMHAGDJEIADJT-UHFFFAOYSA-N
MW314.00 g/mol
LogP2.46
Rot. Bonds1

About 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile

5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 129319143) has the molecular formula C7H2F3IN2O and a molecular weight of 314.00 g/mol. Its IUPAC name is 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID129319143
Molecular FormulaC7H2F3IN2O
Molecular Weight314.00 g/mol
Exact Mass313.92
IUPAC Name5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(I)c(OC(F)(F)F)n1
InChIInChI=1S/C7H2F3IN2O/c8-7(9,10)14-6-5(11)2-1-4(3-12)13-6/h1-2H
InChIKeyCOMHAGDJEIADJT-UHFFFAOYSA-N
XLogP2.46
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.00
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 129319143) is 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1ccc(I)c(OC(F)(F)F)n1.
What is the InChIKey of 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is COMHAGDJEIADJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2O/c8-7(9,10)14-6-5(11)2-1-4(3-12)13-6/h1-2H.
What are the key properties of 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 314.00 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 129319143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).