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

C10H6BrF4N3O3 — CID 86664475

IUPAC2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid
SMILESFC(F)c1nnc(-c2cncc(Br)c2)o1.O=C(O)C(F)F
InChIInChI=1S/C8H4BrF2N3O.C2H2F2O2/c9-5-1-4(2-12-3-5)7-13-14-8(15-7)6(10)11;3-1(4)2(5)6/h1-3,6H;1H,(H,5,6)
InChIKeyVLUVXQPGGKLGFF-UHFFFAOYSA-N
MW372.07 g/mol
LogP3.17
Rot. Bonds3

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

2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid (PubChem CID 86664475) has the molecular formula C10H6BrF4N3O3 and a molecular weight of 372.07 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid
PubChem CID86664475
Molecular FormulaC10H6BrF4N3O3
Molecular Weight372.07 g/mol
Exact Mass370.95
IUPAC Name2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid
SMILESFC(F)c1nnc(-c2cncc(Br)c2)o1.O=C(O)C(F)F
InChIInChI=1S/C8H4BrF2N3O.C2H2F2O2/c9-5-1-4(2-12-3-5)7-13-14-8(15-7)6(10)11;3-1(4)2(5)6/h1-3,6H;1H,(H,5,6)
InChIKeyVLUVXQPGGKLGFF-UHFFFAOYSA-N
XLogP3.17
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.07
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid (CID 86664475) is 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid is FC(F)c1nnc(-c2cncc(Br)c2)o1.O=C(O)C(F)F.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid?
The InChIKey is VLUVXQPGGKLGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2N3O.C2H2F2O2/c9-5-1-4(2-12-3-5)7-13-14-8(15-7)6(10)11;3-1(4)2(5)6/h1-3,6H;1H,(H,5,6).
What are the key properties of 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid?
2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid has a molecular weight of 372.07 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-5-(difluoromethyl)-1,3,4-oxadiazole;2,2-difluoroacetic acid is sourced from PubChem (CID 86664475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).