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

C6H3FN2S — CID 131094742

IUPAC2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=S)[nH]c1F
InChIInChI=1S/C6H3FN2S/c7-6-4(3-8)1-2-5(10)9-6/h1-2H,(H,9,10)
InChIKeyTVIOLVPNDJIXBD-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.75
Rot. Bonds

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

2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 131094742) has the molecular formula C6H3FN2S and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID131094742
Molecular FormulaC6H3FN2S
Molecular Weight154.17 g/mol
Exact Mass154.00
IUPAC Name2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=S)[nH]c1F
InChIInChI=1S/C6H3FN2S/c7-6-4(3-8)1-2-5(10)9-6/h1-2H,(H,9,10)
InChIKeyTVIOLVPNDJIXBD-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 172429174
4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 123410275
6-fluoro-3-sulfanyl-2-sulfanylidene-1H-pyridine-4-carbonitrile
CID 144884949
2-Amino-3,5-cyano-6-thiopyridine
CID 119024063
6-sulfanylidene-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 131011849
6-sulfanylidene-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 131093511
2-fluoro-6-sulfanylidene-1H-pyridine-4-carbonitrile
CID 131096453
6-Mercapto-2-methylnicotinonitrile
CID 84618222
2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CID 175790358
2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 119024027

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile (CID 131094742) is 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile is N#Cc1ccc(=S)[nH]c1F.
What is the InChIKey of 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is TVIOLVPNDJIXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2S/c7-6-4(3-8)1-2-5(10)9-6/h1-2H,(H,9,10).
What are the key properties of 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile?
2-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 2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 131094742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).