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

C6H3FN2S — CID 123410275

IUPAC4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=S)cc1F
InChIInChI=1S/C6H3FN2S/c7-5-1-6(10)9-3-4(5)2-8/h1,3H,(H,9,10)
InChIKeyAJLKJZOIOBIHDT-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.75
Rot. Bonds

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

4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 123410275) has the molecular formula C6H3FN2S and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID123410275
Molecular FormulaC6H3FN2S
Molecular Weight154.17 g/mol
Exact Mass154.00
IUPAC Name4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=S)cc1F
InChIInChI=1S/C6H3FN2S/c7-5-1-6(10)9-3-4(5)2-8/h1,3H,(H,9,10)
InChIKeyAJLKJZOIOBIHDT-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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Related Compounds

5-fluoro-4-iodo-1H-pyridine-2-thione
CID 130867116
6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile
CID 118804889
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5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile
CID 87130438
5-bromo-7-fluoro-1H-indole-3-carbonitrile
CID 67356040
4,5-dibromo-2-fluorobenzonitrile
CID 118846547
6,7-difluoro-1H-indole-5-carbonitrile
CID 118989891
2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile;hydrochloride
CID 162323947
2-fluoro-4-isocyanobenzonitrile
CID 58972991
2,5-difluoro-4-(2-methyl-3-sulfanylidene-1H-pyrazol-5-yl)benzonitrile
CID 67587978
3-fluoronaphthalene-2-carbonitrile
CID 53485645
4-bromo-6-fluorobenzene-1,3-dicarbonitrile;methane
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile (CID 123410275) is 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=S)cc1F.
What is the InChIKey of 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is AJLKJZOIOBIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2S/c7-5-1-6(10)9-3-4(5)2-8/h1,3H,(H,9,10).
What are the key properties of 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile?
4-fluoro-6-sulfanylidene-1H-pyridine-3-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 4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 123410275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).