2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

C12H7F3N4O — CID 175337581

IUPAC2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(-c2ccc(-n3cccc3)cn2)o1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)11-18-17-10(20-11)9-4-3-8(7-16-9)19-5-1-2-6-19/h1-7H
InChIKeyLPNIREIJDAFZPJ-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.94
Rot. Bonds2

About 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 175337581) has the molecular formula C12H7F3N4O and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID175337581
Molecular FormulaC12H7F3N4O
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Name2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(-c2ccc(-n3cccc3)cn2)o1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)11-18-17-10(20-11)9-4-3-8(7-16-9)19-5-1-2-6-19/h1-7H
InChIKeyLPNIREIJDAFZPJ-UHFFFAOYSA-N
XLogP2.94
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 175337581) is 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(-c2ccc(-n3cccc3)cn2)o1.
What is the InChIKey of 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is LPNIREIJDAFZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O/c13-12(14,15)11-18-17-10(20-11)9-4-3-8(7-16-9)19-5-1-2-6-19/h1-7H.
What are the key properties of 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 280.21 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 175337581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).