5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide

C11H6Br2N2O3 — CID 1388805

IUPAC5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1coc(=O)c(Br)c1
InChIInChI=1S/C11H6Br2N2O3/c12-7-1-2-9(14-4-7)15-10(16)6-3-8(13)11(17)18-5-6/h1-5H,(H,14,15,16)
InChIKeyOXCQVHOOULVHIT-UHFFFAOYSA-N
MW373.99 g/mol
LogP2.81
Rot. Bonds2

About 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide

5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide (PubChem CID 1388805) has the molecular formula C11H6Br2N2O3 and a molecular weight of 373.99 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide
PubChem CID1388805
Molecular FormulaC11H6Br2N2O3
Molecular Weight373.99 g/mol
Exact Mass371.87
IUPAC Name5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1coc(=O)c(Br)c1
InChIInChI=1S/C11H6Br2N2O3/c12-7-1-2-9(14-4-7)15-10(16)6-3-8(13)11(17)18-5-6/h1-5H,(H,14,15,16)
InChIKeyOXCQVHOOULVHIT-UHFFFAOYSA-N
XLogP2.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.99
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide (CID 1388805) is 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide is O=C(Nc1ccc(Br)cn1)c1coc(=O)c(Br)c1.
What is the InChIKey of 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide?
The InChIKey is OXCQVHOOULVHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O3/c12-7-1-2-9(14-4-7)15-10(16)6-3-8(13)11(17)18-5-6/h1-5H,(H,14,15,16).
What are the key properties of 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide?
5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide has a molecular weight of 373.99 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-pyridinyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 1388805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).