3,4-difluoro-2-iodopyridine

C5H2F2IN — CID 129282241

IUPAC3,4-difluoro-2-iodopyridine
SMILESFc1ccnc(I)c1F
InChIInChI=1S/C5H2F2IN/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChIKeySILUQJSHWNYPBQ-UHFFFAOYSA-N
MW240.98 g/mol
LogP1.96
Rot. Bonds

About 3,4-difluoro-2-iodopyridine

3,4-difluoro-2-iodopyridine (PubChem CID 129282241) has the molecular formula C5H2F2IN and a molecular weight of 240.98 g/mol. Its IUPAC name is 3,4-difluoro-2-iodopyridine.

Molecular Properties

Compound Name3,4-difluoro-2-iodopyridine
PubChem CID129282241
Molecular FormulaC5H2F2IN
Molecular Weight240.98 g/mol
Exact Mass240.92
IUPAC Name3,4-difluoro-2-iodopyridine
SMILESFc1ccnc(I)c1F
InChIInChI=1S/C5H2F2IN/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChIKeySILUQJSHWNYPBQ-UHFFFAOYSA-N
XLogP1.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.98
LogP ≤ 51.96
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 3,4-difluoro-2-iodopyridine?
The IUPAC name of 3,4-difluoro-2-iodopyridine (CID 129282241) is 3,4-difluoro-2-iodopyridine.
What is the SMILES notation for 3,4-difluoro-2-iodopyridine?
The canonical SMILES for 3,4-difluoro-2-iodopyridine is Fc1ccnc(I)c1F.
What is the InChIKey of 3,4-difluoro-2-iodopyridine?
The InChIKey is SILUQJSHWNYPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F2IN/c6-3-1-2-9-5(8)4(3)7/h1-2H.
What are the key properties of 3,4-difluoro-2-iodopyridine?
3,4-difluoro-2-iodopyridine has a molecular weight of 240.98 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-iodopyridine is sourced from PubChem (CID 129282241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).