2-fluoro-6-propan-2-ylsulfanylpyridine

C8H10FNS — CID 61229581

IUPAC2-fluoro-6-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1cccc(F)n1
InChIInChI=1S/C8H10FNS/c1-6(2)11-8-5-3-4-7(9)10-8/h3-6H,1-2H3
InChIKeyXHQSHEADVNROEK-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.72
Rot. Bonds2

About 2-fluoro-6-propan-2-ylsulfanylpyridine

2-fluoro-6-propan-2-ylsulfanylpyridine (PubChem CID 61229581) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-fluoro-6-propan-2-ylsulfanylpyridine.

Molecular Properties

Compound Name2-fluoro-6-propan-2-ylsulfanylpyridine
PubChem CID61229581
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name2-fluoro-6-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1cccc(F)n1
InChIInChI=1S/C8H10FNS/c1-6(2)11-8-5-3-4-7(9)10-8/h3-6H,1-2H3
InChIKeyXHQSHEADVNROEK-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-propan-2-ylsulfanylpyridine?
The IUPAC name of 2-fluoro-6-propan-2-ylsulfanylpyridine (CID 61229581) is 2-fluoro-6-propan-2-ylsulfanylpyridine.
What is the SMILES notation for 2-fluoro-6-propan-2-ylsulfanylpyridine?
The canonical SMILES for 2-fluoro-6-propan-2-ylsulfanylpyridine is CC(C)Sc1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-propan-2-ylsulfanylpyridine?
The InChIKey is XHQSHEADVNROEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-6(2)11-8-5-3-4-7(9)10-8/h3-6H,1-2H3.
What are the key properties of 2-fluoro-6-propan-2-ylsulfanylpyridine?
2-fluoro-6-propan-2-ylsulfanylpyridine has a molecular weight of 171.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-propan-2-ylsulfanylpyridine is sourced from PubChem (CID 61229581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).