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

C6H2F4INO — CID 130091976

IUPAC2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
SMILESFc1nc(OC(F)(F)F)ccc1I
InChIInChI=1S/C6H2F4INO/c7-5-3(11)1-2-4(12-5)13-6(8,9)10/h1-2H
InChIKeyDNHMPUPRBAHXFS-UHFFFAOYSA-N
MW306.98 g/mol
LogP2.72
Rot. Bonds1

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

2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine (PubChem CID 130091976) has the molecular formula C6H2F4INO and a molecular weight of 306.98 g/mol. Its IUPAC name is 2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
PubChem CID130091976
Molecular FormulaC6H2F4INO
Molecular Weight306.98 g/mol
Exact Mass306.91
IUPAC Name2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
SMILESFc1nc(OC(F)(F)F)ccc1I
InChIInChI=1S/C6H2F4INO/c7-5-3(11)1-2-4(12-5)13-6(8,9)10/h1-2H
InChIKeyDNHMPUPRBAHXFS-UHFFFAOYSA-N
XLogP2.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.98
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(trifluoromethoxy)pyridine?
The IUPAC name of 2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine (CID 130091976) is 2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine is Fc1nc(OC(F)(F)F)ccc1I.
What is the InChIKey of 2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine?
The InChIKey is DNHMPUPRBAHXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4INO/c7-5-3(11)1-2-4(12-5)13-6(8,9)10/h1-2H.
What are the key properties of 2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine?
2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine has a molecular weight of 306.98 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130091976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).