2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine

C8H7F2IN2 — CID 147432455

IUPAC2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine
SMILESFC1(F)CN(c2cccc(I)n2)C1
InChIInChI=1S/C8H7F2IN2/c9-8(10)4-13(5-8)7-3-1-2-6(11)12-7/h1-3H,4-5H2
InChIKeyDUPQHCMNXNOEST-UHFFFAOYSA-N
MW296.06 g/mol
LogP2.14
Rot. Bonds1

About 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine

2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine (PubChem CID 147432455) has the molecular formula C8H7F2IN2 and a molecular weight of 296.06 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine
PubChem CID147432455
Molecular FormulaC8H7F2IN2
Molecular Weight296.06 g/mol
Exact Mass295.96
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine
SMILESFC1(F)CN(c2cccc(I)n2)C1
InChIInChI=1S/C8H7F2IN2/c9-8(10)4-13(5-8)7-3-1-2-6(11)12-7/h1-3H,4-5H2
InChIKeyDUPQHCMNXNOEST-UHFFFAOYSA-N
XLogP2.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.06
LogP ≤ 52.14
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-(3,3-difluoroazetidin-1-yl)-6-iodopyridine?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine (CID 147432455) is 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine is FC1(F)CN(c2cccc(I)n2)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine?
The InChIKey is DUPQHCMNXNOEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2/c9-8(10)4-13(5-8)7-3-1-2-6(11)12-7/h1-3H,4-5H2.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine?
2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine has a molecular weight of 296.06 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-6-iodopyridine is sourced from PubChem (CID 147432455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).