[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate

C15H9Br2N3O3 — CID 2386225

IUPAC[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1cncc(Br)c1
InChIInChI=1S/C15H9Br2N3O3/c16-11-3-1-9(2-4-11)14-20-19-13(23-14)8-22-15(21)10-5-12(17)7-18-6-10/h1-7H,8H2
InChIKeyIZIXWVNADYYJCH-UHFFFAOYSA-N
MW439.06 g/mol
LogP4.01
Rot. Bonds4

About [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate

[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate (PubChem CID 2386225) has the molecular formula C15H9Br2N3O3 and a molecular weight of 439.06 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate
PubChem CID2386225
Molecular FormulaC15H9Br2N3O3
Molecular Weight439.06 g/mol
Exact Mass436.90
IUPAC Name[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1cncc(Br)c1
InChIInChI=1S/C15H9Br2N3O3/c16-11-3-1-9(2-4-11)14-20-19-13(23-14)8-22-15(21)10-5-12(17)7-18-6-10/h1-7H,8H2
InChIKeyIZIXWVNADYYJCH-UHFFFAOYSA-N
XLogP4.01
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.06
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate?
The IUPAC name of [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate (CID 2386225) is [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate.
What is the SMILES notation for [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate?
The canonical SMILES for [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate is O=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1cncc(Br)c1.
What is the InChIKey of [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate?
The InChIKey is IZIXWVNADYYJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2N3O3/c16-11-3-1-9(2-4-11)14-20-19-13(23-14)8-22-15(21)10-5-12(17)7-18-6-10/h1-7H,8H2.
What are the key properties of [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate?
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate has a molecular weight of 439.06 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 2386225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).