2-fluoro-3-iodo-6-(trifluoromethyl)pyridine

C6H2F4IN — CID 59023031

IUPAC2-fluoro-3-iodo-6-(trifluoromethyl)pyridine
SMILESFc1nc(C(F)(F)F)ccc1I
InChIInChI=1S/C6H2F4IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
InChIKeyYKFWFYZXEVQOLH-UHFFFAOYSA-N
MW290.99 g/mol
LogP2.84
Rot. Bonds

About 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine

2-fluoro-3-iodo-6-(trifluoromethyl)pyridine (PubChem CID 59023031) has the molecular formula C6H2F4IN and a molecular weight of 290.99 g/mol. Its IUPAC name is 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-iodo-6-(trifluoromethyl)pyridine
PubChem CID59023031
Molecular FormulaC6H2F4IN
Molecular Weight290.99 g/mol
Exact Mass290.92
IUPAC Name2-fluoro-3-iodo-6-(trifluoromethyl)pyridine
SMILESFc1nc(C(F)(F)F)ccc1I
InChIInChI=1S/C6H2F4IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
InChIKeyYKFWFYZXEVQOLH-UHFFFAOYSA-N
XLogP2.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.99
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine (CID 59023031) is 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine is Fc1nc(C(F)(F)F)ccc1I.
What is the InChIKey of 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine?
The InChIKey is YKFWFYZXEVQOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H.
What are the key properties of 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine?
2-fluoro-3-iodo-6-(trifluoromethyl)pyridine has a molecular weight of 290.99 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 59023031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).