6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile

C6H3FN2S2 — CID 144884949

IUPAC6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(F)[nH]c(=S)c1S
InChIInChI=1S/C6H3FN2S2/c7-4-1-3(2-8)5(10)6(11)9-4/h1,10H,(H,9,11)
InChIKeyLUVHAXHGGIPULI-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.04
Rot. Bonds

About 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile

6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile (PubChem CID 144884949) has the molecular formula C6H3FN2S2 and a molecular weight of 186.24 g/mol. Its IUPAC name is 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile
PubChem CID144884949
Molecular FormulaC6H3FN2S2
Molecular Weight186.24 g/mol
Exact Mass185.97
IUPAC Name6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(F)[nH]c(=S)c1S
InChIInChI=1S/C6H3FN2S2/c7-4-1-3(2-8)5(10)6(11)9-4/h1,10H,(H,9,11)
InChIKeyLUVHAXHGGIPULI-UHFFFAOYSA-N
XLogP2.04
TPSA39.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The IUPAC name of 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile (CID 144884949) is 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The canonical SMILES for 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile is N#Cc1cc(F)[nH]c(=S)c1S.
What is the InChIKey of 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The InChIKey is LUVHAXHGGIPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2S2/c7-4-1-3(2-8)5(10)6(11)9-4/h1,10H,(H,9,11).
What are the key properties of 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile?
6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile has a molecular weight of 186.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 144884949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).