5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile

C6H3FN2S — CID 130967501

IUPAC5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile
SMILESN#Cc1ccc(F)c(=S)[nH]1
InChIInChI=1S/C6H3FN2S/c7-5-2-1-4(3-8)9-6(5)10/h1-2H,(H,9,10)
InChIKeyAGSZWVPUDILXIU-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.75
Rot. Bonds

About 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile

5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile (PubChem CID 130967501) has the molecular formula C6H3FN2S and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile
PubChem CID130967501
Molecular FormulaC6H3FN2S
Molecular Weight154.17 g/mol
Exact Mass154.00
IUPAC Name5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile
SMILESN#Cc1ccc(F)c(=S)[nH]1
InChIInChI=1S/C6H3FN2S/c7-5-2-1-4(3-8)9-6(5)10/h1-2H,(H,9,10)
InChIKeyAGSZWVPUDILXIU-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

3-fluoro-6-(trifluoromethyl)-1H-pyridine-2-thione
CID 118703926
6-(3,4-difluorophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63896257
5-fluoro-4-hydroxy-1H-indole-2-carbonitrile
CID 131591641
5-ethenyl-1H-pyrrole-2-carbonitrile
CID 141087586
5-propan-2-yl-1H-pyrrole-2-carbonitrile
CID 141018308
ethane;5-ethyl-1H-pyrrole-2-carbonitrile
CID 143116393
5-cyano-1H-pyrrole-2-carboxylic acid
CID 55302753
5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile
CID 96735832
5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile
CID 100793852
5-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700976
2-(aminomethyl)-3,6-difluorobenzonitrile
CID 118991249
6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
CID 130822676

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile (CID 130967501) is 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile is N#Cc1ccc(F)c(=S)[nH]1.
What is the InChIKey of 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile?
The InChIKey is AGSZWVPUDILXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2S/c7-5-2-1-4(3-8)9-6(5)10/h1-2H,(H,9,10).
What are the key properties of 5-fluoro-6-sulfanylidene-1H-pyridine-2-carbonitrile?
5-fluoro-6-sulfanylidene-1H-pyridine-2-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-6-sulfanylidene-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130967501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).