2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

C13H7FN4S — CID 79296191

IUPAC2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
SMILESN#Cc1cc(-n2c(=S)[nH]c3cnccc32)ccc1F
InChIInChI=1S/C13H7FN4S/c14-10-2-1-9(5-8(10)6-15)18-12-3-4-16-7-11(12)17-13(18)19/h1-5,7H,(H,17,19)
InChIKeyVSAUUTYUZQWGBH-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.09
Rot. Bonds1

About 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile (PubChem CID 79296191) has the molecular formula C13H7FN4S and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
PubChem CID79296191
Molecular FormulaC13H7FN4S
Molecular Weight270.29 g/mol
Exact Mass270.04
IUPAC Name2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
SMILESN#Cc1cc(-n2c(=S)[nH]c3cnccc32)ccc1F
InChIInChI=1S/C13H7FN4S/c14-10-2-1-9(5-8(10)6-15)18-12-3-4-16-7-11(12)17-13(18)19/h1-5,7H,(H,17,19)
InChIKeyVSAUUTYUZQWGBH-UHFFFAOYSA-N
XLogP3.09
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile (CID 79296191) is 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile is N#Cc1cc(-n2c(=S)[nH]c3cnccc32)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The InChIKey is VSAUUTYUZQWGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4S/c14-10-2-1-9(5-8(10)6-15)18-12-3-4-16-7-11(12)17-13(18)19/h1-5,7H,(H,17,19).
What are the key properties of 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile has a molecular weight of 270.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile is sourced from PubChem (CID 79296191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).