2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole

C8H4BrF2N3O — CID 68641099

IUPAC2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C8H4BrF2N3O/c9-5-1-4(2-12-3-5)7-13-14-8(15-7)6(10)11/h1-3,6H
InChIKeyGCGKNKGNGNPPKM-UHFFFAOYSA-N
MW276.04 g/mol
LogP2.83
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole

2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 68641099) has the molecular formula C8H4BrF2N3O and a molecular weight of 276.04 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID68641099
Molecular FormulaC8H4BrF2N3O
Molecular Weight276.04 g/mol
Exact Mass274.95
IUPAC Name2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C8H4BrF2N3O/c9-5-1-4(2-12-3-5)7-13-14-8(15-7)6(10)11/h1-3,6H
InChIKeyGCGKNKGNGNPPKM-UHFFFAOYSA-N
XLogP2.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole (CID 68641099) is 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2cncc(Br)c2)o1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is GCGKNKGNGNPPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2N3O/c9-5-1-4(2-12-3-5)7-13-14-8(15-7)6(10)11/h1-3,6H.
What are the key properties of 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole?
2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 276.04 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 68641099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).