2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C10H5F3N4OS — CID 79877203

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nnc(Sc2nc(C(F)(F)F)ccc2C#N)o1
InChIInChI=1S/C10H5F3N4OS/c1-5-16-17-9(18-5)19-8-6(4-14)2-3-7(15-8)10(11,12)13/h2-3H,1H3
InChIKeyIYHNVMGPWSVUIX-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.81
Rot. Bonds2

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79877203) has the molecular formula C10H5F3N4OS and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79877203
Molecular FormulaC10H5F3N4OS
Molecular Weight286.24 g/mol
Exact Mass286.01
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nnc(Sc2nc(C(F)(F)F)ccc2C#N)o1
InChIInChI=1S/C10H5F3N4OS/c1-5-16-17-9(18-5)19-8-6(4-14)2-3-7(15-8)10(11,12)13/h2-3H,1H3
InChIKeyIYHNVMGPWSVUIX-UHFFFAOYSA-N
XLogP2.81
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79877203) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1nnc(Sc2nc(C(F)(F)F)ccc2C#N)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IYHNVMGPWSVUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4OS/c1-5-16-17-9(18-5)19-8-6(4-14)2-3-7(15-8)10(11,12)13/h2-3H,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 286.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79877203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).