5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid

C13H11BrN2O4 — CID 66748498

IUPAC5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid
SMILESCC(=O)Nc1cc(-c2cc(C(=O)O)c(Br)o2)c(C)cn1
InChIInChI=1S/C13H11BrN2O4/c1-6-5-15-11(16-7(2)17)4-8(6)10-3-9(13(18)19)12(14)20-10/h3-5H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyVOTUMOMCGWALFB-UHFFFAOYSA-N
MW339.15 g/mol
LogP3.07
Rot. Bonds3

About 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid

5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid (PubChem CID 66748498) has the molecular formula C13H11BrN2O4 and a molecular weight of 339.15 g/mol. Its IUPAC name is 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid
PubChem CID66748498
Molecular FormulaC13H11BrN2O4
Molecular Weight339.15 g/mol
Exact Mass337.99
IUPAC Name5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid
SMILESCC(=O)Nc1cc(-c2cc(C(=O)O)c(Br)o2)c(C)cn1
InChIInChI=1S/C13H11BrN2O4/c1-6-5-15-11(16-7(2)17)4-8(6)10-3-9(13(18)19)12(14)20-10/h3-5H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyVOTUMOMCGWALFB-UHFFFAOYSA-N
XLogP3.07
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid?
The IUPAC name of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid (CID 66748498) is 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid.
What is the SMILES notation for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid?
The canonical SMILES for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid is CC(=O)Nc1cc(-c2cc(C(=O)O)c(Br)o2)c(C)cn1.
What is the InChIKey of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid?
The InChIKey is VOTUMOMCGWALFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4/c1-6-5-15-11(16-7(2)17)4-8(6)10-3-9(13(18)19)12(14)20-10/h3-5H,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid?
5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid has a molecular weight of 339.15 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-bromofuran-3-carboxylic acid is sourced from PubChem (CID 66748498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).