4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine

C12H7F3IN — CID 46315883

IUPAC4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2ccncc2)c1I
InChIInChI=1S/C12H7F3IN/c13-12(14,15)10-3-1-2-9(11(10)16)8-4-6-17-7-5-8/h1-7H
InChIKeyALEHWVZSZMZFAN-UHFFFAOYSA-N
MW349.09 g/mol
LogP4.37
Rot. Bonds1

About 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine

4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine (PubChem CID 46315883) has the molecular formula C12H7F3IN and a molecular weight of 349.09 g/mol. Its IUPAC name is 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine
PubChem CID46315883
Molecular FormulaC12H7F3IN
Molecular Weight349.09 g/mol
Exact Mass348.96
IUPAC Name4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2ccncc2)c1I
InChIInChI=1S/C12H7F3IN/c13-12(14,15)10-3-1-2-9(11(10)16)8-4-6-17-7-5-8/h1-7H
InChIKeyALEHWVZSZMZFAN-UHFFFAOYSA-N
XLogP4.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.09
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine (CID 46315883) is 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cccc(-c2ccncc2)c1I.
What is the InChIKey of 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is ALEHWVZSZMZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3IN/c13-12(14,15)10-3-1-2-9(11(10)16)8-4-6-17-7-5-8/h1-7H.
What are the key properties of 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine?
4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 349.09 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-iodo-3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46315883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).