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

C12H9BrN2O3 — CID 929897

IUPAC5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide
SMILESCc1cccc(NC(=O)c2coc(=O)c(Br)c2)n1
InChIInChI=1S/C12H9BrN2O3/c1-7-3-2-4-10(14-7)15-11(16)8-5-9(13)12(17)18-6-8/h2-6H,1H3,(H,14,15,16)
InChIKeyCLXBDSUYNCBQOF-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.36
Rot. Bonds2

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

5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide (PubChem CID 929897) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide
PubChem CID929897
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide
SMILESCc1cccc(NC(=O)c2coc(=O)c(Br)c2)n1
InChIInChI=1S/C12H9BrN2O3/c1-7-3-2-4-10(14-7)15-11(16)8-5-9(13)12(17)18-6-8/h2-6H,1H3,(H,14,15,16)
InChIKeyCLXBDSUYNCBQOF-UHFFFAOYSA-N
XLogP2.36
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide?
The IUPAC name of 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide (CID 929897) is 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide is Cc1cccc(NC(=O)c2coc(=O)c(Br)c2)n1.
What is the InChIKey of 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide?
The InChIKey is CLXBDSUYNCBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c1-7-3-2-4-10(14-7)15-11(16)8-5-9(13)12(17)18-6-8/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide?
5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide has a molecular weight of 309.12 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-methyl-2-pyridinyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 929897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).