5-(fluoromethyl)-1H-pyridine-2-thione

C6H6FNS — CID 66660004

IUPAC5-(fluoromethyl)-1H-pyridine-2-thione
SMILESFCc1ccc(=S)[nH]c1
InChIInChI=1S/C6H6FNS/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3H2,(H,8,9)
InChIKeyKIPAUGZLAGKYJN-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.21
Rot. Bonds1

About 5-(fluoromethyl)-1H-pyridine-2-thione

5-(fluoromethyl)-1H-pyridine-2-thione (PubChem CID 66660004) has the molecular formula C6H6FNS and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-(fluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(fluoromethyl)-1H-pyridine-2-thione
PubChem CID66660004
Molecular FormulaC6H6FNS
Molecular Weight143.19 g/mol
Exact Mass143.02
IUPAC Name5-(fluoromethyl)-1H-pyridine-2-thione
SMILESFCc1ccc(=S)[nH]c1
InChIInChI=1S/C6H6FNS/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3H2,(H,8,9)
InChIKeyKIPAUGZLAGKYJN-UHFFFAOYSA-N
XLogP2.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 5-(fluoromethyl)-1H-pyridine-2-thione (CID 66660004) is 5-(fluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 5-(fluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 5-(fluoromethyl)-1H-pyridine-2-thione is FCc1ccc(=S)[nH]c1.
What is the InChIKey of 5-(fluoromethyl)-1H-pyridine-2-thione?
The InChIKey is KIPAUGZLAGKYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNS/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3H2,(H,8,9).
What are the key properties of 5-(fluoromethyl)-1H-pyridine-2-thione?
5-(fluoromethyl)-1H-pyridine-2-thione has a molecular weight of 143.19 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 66660004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).