2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine

C11H4Cl3FIN — CID 134637480

IUPAC2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
SMILESFc1nccc(I)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H4Cl3FIN/c12-5-3-6(10(14)7(13)4-5)9-8(16)1-2-17-11(9)15/h1-4H
InChIKeyXVWIJEWJGJMMSA-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.45
Rot. Bonds1

About 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine

2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine (PubChem CID 134637480) has the molecular formula C11H4Cl3FIN and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
PubChem CID134637480
Molecular FormulaC11H4Cl3FIN
Molecular Weight402.42 g/mol
Exact Mass400.84
IUPAC Name2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
SMILESFc1nccc(I)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H4Cl3FIN/c12-5-3-6(10(14)7(13)4-5)9-8(16)1-2-17-11(9)15/h1-4H
InChIKeyXVWIJEWJGJMMSA-UHFFFAOYSA-N
XLogP5.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine?
The IUPAC name of 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine (CID 134637480) is 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine.
What is the SMILES notation for 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine?
The canonical SMILES for 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine is Fc1nccc(I)c1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine?
The InChIKey is XVWIJEWJGJMMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3FIN/c12-5-3-6(10(14)7(13)4-5)9-8(16)1-2-17-11(9)15/h1-4H.
What are the key properties of 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine?
2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine has a molecular weight of 402.42 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134637480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).