2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine

C10H10F3IN2 — CID 169091956

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
SMILESFc1cc(I)cc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H10F3IN2/c11-8-5-7(14)6-9(15-8)16-3-1-10(12,13)2-4-16/h5-6H,1-4H2
InChIKeyYEOJSDJMTTYQNC-UHFFFAOYSA-N
MW342.10 g/mol
LogP3.06
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine

2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine (PubChem CID 169091956) has the molecular formula C10H10F3IN2 and a molecular weight of 342.10 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
PubChem CID169091956
Molecular FormulaC10H10F3IN2
Molecular Weight342.10 g/mol
Exact Mass341.98
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
SMILESFc1cc(I)cc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H10F3IN2/c11-8-5-7(14)6-9(15-8)16-3-1-10(12,13)2-4-16/h5-6H,1-4H2
InChIKeyYEOJSDJMTTYQNC-UHFFFAOYSA-N
XLogP3.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 53.06
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-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine (CID 169091956) is 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine is Fc1cc(I)cc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine?
The InChIKey is YEOJSDJMTTYQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IN2/c11-8-5-7(14)6-9(15-8)16-3-1-10(12,13)2-4-16/h5-6H,1-4H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine?
2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine has a molecular weight of 342.10 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine is sourced from PubChem (CID 169091956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).