fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate

C3BrFN2O3 — CID 169164187

IUPACfluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate
SMILESO=C(OF)c1nnc(Br)o1
InChIInChI=1S/C3BrFN2O3/c4-3-7-6-1(9-3)2(8)10-5
InChIKeyIPAOPGFWPVUGMJ-UHFFFAOYSA-N
MW210.95 g/mol
LogP0.87
Rot. Bonds1

About fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate

fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate (PubChem CID 169164187) has the molecular formula C3BrFN2O3 and a molecular weight of 210.95 g/mol. Its IUPAC name is fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namefluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate
PubChem CID169164187
Molecular FormulaC3BrFN2O3
Molecular Weight210.95 g/mol
Exact Mass209.91
IUPAC Namefluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate
SMILESO=C(OF)c1nnc(Br)o1
InChIInChI=1S/C3BrFN2O3/c4-3-7-6-1(9-3)2(8)10-5
InChIKeyIPAOPGFWPVUGMJ-UHFFFAOYSA-N
XLogP0.87
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.95
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-1,3,4-oxadiazole-2-carboxylic acid
CID 82402411
Methyl 5-bromo-1,3,4-oxadiazole-2-carboxylate
CID 84674760
1,3,4-Oxadiazole-2,5-dicarboxylate
CID 140764253
CID 167386305
CID 167386305
Lithium 5-bromo-1,3,4-oxadiazole-2-carboxylate
CID 171397154

Frequently Asked Questions

What is the IUPAC name of fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate (CID 169164187) is fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate is O=C(OF)c1nnc(Br)o1.
What is the InChIKey of fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is IPAOPGFWPVUGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BrFN2O3/c4-3-7-6-1(9-3)2(8)10-5.
What are the key properties of fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate?
fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 210.95 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 5-bromo-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 169164187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).