3-fluoro-2-methyl-1H-pyridine-4-thione

C6H6FNS — CID 155002553

IUPAC3-fluoro-2-methyl-1H-pyridine-4-thione
SMILESCc1[nH]ccc(=S)c1F
InChIInChI=1S/C6H6FNS/c1-4-6(7)5(9)2-3-8-4/h2-3H,1H3,(H,8,9)
InChIKeyMTVPOYXRXGAYMU-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.19
Rot. Bonds

About 3-fluoro-2-methyl-1H-pyridine-4-thione

3-fluoro-2-methyl-1H-pyridine-4-thione (PubChem CID 155002553) has the molecular formula C6H6FNS and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-fluoro-2-methyl-1H-pyridine-4-thione.

Molecular Properties

Compound Name3-fluoro-2-methyl-1H-pyridine-4-thione
PubChem CID155002553
Molecular FormulaC6H6FNS
Molecular Weight143.19 g/mol
Exact Mass143.02
IUPAC Name3-fluoro-2-methyl-1H-pyridine-4-thione
SMILESCc1[nH]ccc(=S)c1F
InChIInChI=1S/C6H6FNS/c1-4-6(7)5(9)2-3-8-4/h2-3H,1H3,(H,8,9)
InChIKeyMTVPOYXRXGAYMU-UHFFFAOYSA-N
XLogP2.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.19
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 3-fluoro-2-methyl-1H-pyridine-4-thione?
The IUPAC name of 3-fluoro-2-methyl-1H-pyridine-4-thione (CID 155002553) is 3-fluoro-2-methyl-1H-pyridine-4-thione.
What is the SMILES notation for 3-fluoro-2-methyl-1H-pyridine-4-thione?
The canonical SMILES for 3-fluoro-2-methyl-1H-pyridine-4-thione is Cc1[nH]ccc(=S)c1F.
What is the InChIKey of 3-fluoro-2-methyl-1H-pyridine-4-thione?
The InChIKey is MTVPOYXRXGAYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNS/c1-4-6(7)5(9)2-3-8-4/h2-3H,1H3,(H,8,9).
What are the key properties of 3-fluoro-2-methyl-1H-pyridine-4-thione?
3-fluoro-2-methyl-1H-pyridine-4-thione has a molecular weight of 143.19 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-1H-pyridine-4-thione is sourced from PubChem (CID 155002553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).