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

C6H3FN2S — CID 130980207

IUPAC3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc[nH]c(=S)c1F
InChIInChI=1S/C6H3FN2S/c7-5-4(3-8)1-2-9-6(5)10/h1-2H,(H,9,10)
InChIKeyJROJYIVRDCSXBV-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.75
Rot. Bonds

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

3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile (PubChem CID 130980207) has the molecular formula C6H3FN2S and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile
PubChem CID130980207
Molecular FormulaC6H3FN2S
Molecular Weight154.17 g/mol
Exact Mass154.00
IUPAC Name3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc[nH]c(=S)c1F
InChIInChI=1S/C6H3FN2S/c7-5-4(3-8)1-2-9-6(5)10/h1-2H,(H,9,10)
InChIKeyJROJYIVRDCSXBV-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 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile (CID 130980207) is 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile is N#Cc1cc[nH]c(=S)c1F.
What is the InChIKey of 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile?
The InChIKey is JROJYIVRDCSXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2S/c7-5-4(3-8)1-2-9-6(5)10/h1-2H,(H,9,10).
What are the key properties of 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile?
3-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 3-fluoro-2-sulfanylidene-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130980207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).