2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C13H6ClF3N4OS — CID 1476279

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(Sc2nnc(-c3cccnc3)o2)c(Cl)c1
InChIInChI=1S/C13H6ClF3N4OS/c14-9-4-8(13(15,16)17)6-19-11(9)23-12-21-20-10(22-12)7-2-1-3-18-5-7/h1-6H
InChIKeyNUPCYXRTAKSEEQ-UHFFFAOYSA-N
MW358.73 g/mol
LogP4.35
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 1476279) has the molecular formula C13H6ClF3N4OS and a molecular weight of 358.73 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID1476279
Molecular FormulaC13H6ClF3N4OS
Molecular Weight358.73 g/mol
Exact Mass357.99
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(Sc2nnc(-c3cccnc3)o2)c(Cl)c1
InChIInChI=1S/C13H6ClF3N4OS/c14-9-4-8(13(15,16)17)6-19-11(9)23-12-21-20-10(22-12)7-2-1-3-18-5-7/h1-6H
InChIKeyNUPCYXRTAKSEEQ-UHFFFAOYSA-N
XLogP4.35
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 1476279) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole is FC(F)(F)c1cnc(Sc2nnc(-c3cccnc3)o2)c(Cl)c1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is NUPCYXRTAKSEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N4OS/c14-9-4-8(13(15,16)17)6-19-11(9)23-12-21-20-10(22-12)7-2-1-3-18-5-7/h1-6H.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 358.73 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 1476279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).