2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile

C7H3F3N2S — CID 75530554

IUPAC2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(SC(F)(F)F)c1
InChIInChI=1S/C7H3F3N2S/c8-7(9,10)13-6-3-5(4-11)1-2-12-6/h1-3H
InChIKeyVZCZSASIYJMDOB-UHFFFAOYSA-N
MW204.18 g/mol
LogP2.57
Rot. Bonds1

About 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile

2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile (PubChem CID 75530554) has the molecular formula C7H3F3N2S and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile
PubChem CID75530554
Molecular FormulaC7H3F3N2S
Molecular Weight204.18 g/mol
Exact Mass204.00
IUPAC Name2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(SC(F)(F)F)c1
InChIInChI=1S/C7H3F3N2S/c8-7(9,10)13-6-3-5(4-11)1-2-12-6/h1-3H
InChIKeyVZCZSASIYJMDOB-UHFFFAOYSA-N
XLogP2.57
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile (CID 75530554) is 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile is N#Cc1ccnc(SC(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile?
The InChIKey is VZCZSASIYJMDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2S/c8-7(9,10)13-6-3-5(4-11)1-2-12-6/h1-3H.
What are the key properties of 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile?
2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile has a molecular weight of 204.18 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile is sourced from PubChem (CID 75530554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).