5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile

C6H3FN2S — CID 130863940

IUPAC5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=S)[nH]cc1F
InChIInChI=1S/C6H3FN2S/c7-5-3-9-6(10)1-4(5)2-8/h1,3H,(H,9,10)
InChIKeyYGWNQHKNRUFBIR-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.75
Rot. Bonds

About 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile

5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile (PubChem CID 130863940) has the molecular formula C6H3FN2S and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile
PubChem CID130863940
Molecular FormulaC6H3FN2S
Molecular Weight154.17 g/mol
Exact Mass154.00
IUPAC Name5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=S)[nH]cc1F
InChIInChI=1S/C6H3FN2S/c7-5-3-9-6(10)1-4(5)2-8/h1,3H,(H,9,10)
InChIKeyYGWNQHKNRUFBIR-UHFFFAOYSA-N
XLogP1.75
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The IUPAC name of 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile (CID 130863940) is 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The canonical SMILES for 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile is N#Cc1cc(=S)[nH]cc1F.
What is the InChIKey of 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The InChIKey is YGWNQHKNRUFBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2S/c7-5-3-9-6(10)1-4(5)2-8/h1,3H,(H,9,10).
What are the key properties of 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile?
5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile has a molecular weight of 154.17 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130863940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).