3-fluoro-4-iodo-5-phenylpyridine

C11H7FIN — CID 131015376

IUPAC3-fluoro-4-iodo-5-phenylpyridine
SMILESFc1cncc(-c2ccccc2)c1I
InChIInChI=1S/C11H7FIN/c12-10-7-14-6-9(11(10)13)8-4-2-1-3-5-8/h1-7H
InChIKeyXRWNVSBLROGOJR-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.49
Rot. Bonds1

About 3-fluoro-4-iodo-5-phenylpyridine

3-fluoro-4-iodo-5-phenylpyridine (PubChem CID 131015376) has the molecular formula C11H7FIN and a molecular weight of 299.09 g/mol. Its IUPAC name is 3-fluoro-4-iodo-5-phenylpyridine.

Molecular Properties

Compound Name3-fluoro-4-iodo-5-phenylpyridine
PubChem CID131015376
Molecular FormulaC11H7FIN
Molecular Weight299.09 g/mol
Exact Mass298.96
IUPAC Name3-fluoro-4-iodo-5-phenylpyridine
SMILESFc1cncc(-c2ccccc2)c1I
InChIInChI=1S/C11H7FIN/c12-10-7-14-6-9(11(10)13)8-4-2-1-3-5-8/h1-7H
InChIKeyXRWNVSBLROGOJR-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodo-5-phenylpyridine?
The IUPAC name of 3-fluoro-4-iodo-5-phenylpyridine (CID 131015376) is 3-fluoro-4-iodo-5-phenylpyridine.
What is the SMILES notation for 3-fluoro-4-iodo-5-phenylpyridine?
The canonical SMILES for 3-fluoro-4-iodo-5-phenylpyridine is Fc1cncc(-c2ccccc2)c1I.
What is the InChIKey of 3-fluoro-4-iodo-5-phenylpyridine?
The InChIKey is XRWNVSBLROGOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FIN/c12-10-7-14-6-9(11(10)13)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-fluoro-4-iodo-5-phenylpyridine?
3-fluoro-4-iodo-5-phenylpyridine has a molecular weight of 299.09 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-5-phenylpyridine is sourced from PubChem (CID 131015376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).