2-fluoro-3-iodo-6-methylsulfanylpyridine

C6H5FINS — CID 131072382

IUPAC2-fluoro-3-iodo-6-methylsulfanylpyridine
SMILESCSc1ccc(I)c(F)n1
InChIInChI=1S/C6H5FINS/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,1H3
InChIKeyQUGAOGAVJLIDCU-UHFFFAOYSA-N
MW269.08 g/mol
LogP2.55
Rot. Bonds1

About 2-fluoro-3-iodo-6-methylsulfanylpyridine

2-fluoro-3-iodo-6-methylsulfanylpyridine (PubChem CID 131072382) has the molecular formula C6H5FINS and a molecular weight of 269.08 g/mol. Its IUPAC name is 2-fluoro-3-iodo-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2-fluoro-3-iodo-6-methylsulfanylpyridine
PubChem CID131072382
Molecular FormulaC6H5FINS
Molecular Weight269.08 g/mol
Exact Mass268.92
IUPAC Name2-fluoro-3-iodo-6-methylsulfanylpyridine
SMILESCSc1ccc(I)c(F)n1
InChIInChI=1S/C6H5FINS/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,1H3
InChIKeyQUGAOGAVJLIDCU-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 52.55
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-fluoro-3-iodo-6-methylsulfanylpyridine?
The IUPAC name of 2-fluoro-3-iodo-6-methylsulfanylpyridine (CID 131072382) is 2-fluoro-3-iodo-6-methylsulfanylpyridine.
What is the SMILES notation for 2-fluoro-3-iodo-6-methylsulfanylpyridine?
The canonical SMILES for 2-fluoro-3-iodo-6-methylsulfanylpyridine is CSc1ccc(I)c(F)n1.
What is the InChIKey of 2-fluoro-3-iodo-6-methylsulfanylpyridine?
The InChIKey is QUGAOGAVJLIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FINS/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,1H3.
What are the key properties of 2-fluoro-3-iodo-6-methylsulfanylpyridine?
2-fluoro-3-iodo-6-methylsulfanylpyridine has a molecular weight of 269.08 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-6-methylsulfanylpyridine is sourced from PubChem (CID 131072382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).