3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide

C12H8Br2N2O2 — CID 82804888

IUPAC3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide
SMILESNC(=O)c1ccc(Oc2cncc(Br)c2)c(Br)c1
InChIInChI=1S/C12H8Br2N2O2/c13-8-4-9(6-16-5-8)18-11-2-1-7(12(15)17)3-10(11)14/h1-6H,(H2,15,17)
InChIKeyGARISKQPEBYUKI-UHFFFAOYSA-N
MW372.02 g/mol
LogP3.50
Rot. Bonds3

About 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide

3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide (PubChem CID 82804888) has the molecular formula C12H8Br2N2O2 and a molecular weight of 372.02 g/mol. Its IUPAC name is 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide
PubChem CID82804888
Molecular FormulaC12H8Br2N2O2
Molecular Weight372.02 g/mol
Exact Mass369.90
IUPAC Name3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide
SMILESNC(=O)c1ccc(Oc2cncc(Br)c2)c(Br)c1
InChIInChI=1S/C12H8Br2N2O2/c13-8-4-9(6-16-5-8)18-11-2-1-7(12(15)17)3-10(11)14/h1-6H,(H2,15,17)
InChIKeyGARISKQPEBYUKI-UHFFFAOYSA-N
XLogP3.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide?
The IUPAC name of 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide (CID 82804888) is 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide?
The canonical SMILES for 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide is NC(=O)c1ccc(Oc2cncc(Br)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide?
The InChIKey is GARISKQPEBYUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O2/c13-8-4-9(6-16-5-8)18-11-2-1-7(12(15)17)3-10(11)14/h1-6H,(H2,15,17).
What are the key properties of 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide?
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide has a molecular weight of 372.02 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 82804888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).