methyl 6-acetamido-5-bromopyridine-2-carboxylate

C9H9BrN2O3 — CID 10612276

IUPACmethyl 6-acetamido-5-bromopyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Br)c(NC(C)=O)n1
InChIInChI=1S/C9H9BrN2O3/c1-5(13)11-8-6(10)3-4-7(12-8)9(14)15-2/h3-4H,1-2H3,(H,11,12,13)
InChIKeyVJUDRCHEEDXRAQ-UHFFFAOYSA-N
MW273.09 g/mol
LogP1.59
Rot. Bonds2

About methyl 6-acetamido-5-bromopyridine-2-carboxylate

methyl 6-acetamido-5-bromopyridine-2-carboxylate (PubChem CID 10612276) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is methyl 6-acetamido-5-bromopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetamido-5-bromopyridine-2-carboxylate
PubChem CID10612276
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Namemethyl 6-acetamido-5-bromopyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Br)c(NC(C)=O)n1
InChIInChI=1S/C9H9BrN2O3/c1-5(13)11-8-6(10)3-4-7(12-8)9(14)15-2/h3-4H,1-2H3,(H,11,12,13)
InChIKeyVJUDRCHEEDXRAQ-UHFFFAOYSA-N
XLogP1.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-acetamido-5-bromopyridine-2-carboxylate?
The IUPAC name of methyl 6-acetamido-5-bromopyridine-2-carboxylate (CID 10612276) is methyl 6-acetamido-5-bromopyridine-2-carboxylate.
What is the SMILES notation for methyl 6-acetamido-5-bromopyridine-2-carboxylate?
The canonical SMILES for methyl 6-acetamido-5-bromopyridine-2-carboxylate is COC(=O)c1ccc(Br)c(NC(C)=O)n1.
What is the InChIKey of methyl 6-acetamido-5-bromopyridine-2-carboxylate?
The InChIKey is VJUDRCHEEDXRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-5(13)11-8-6(10)3-4-7(12-8)9(14)15-2/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of methyl 6-acetamido-5-bromopyridine-2-carboxylate?
methyl 6-acetamido-5-bromopyridine-2-carboxylate has a molecular weight of 273.09 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetamido-5-bromopyridine-2-carboxylate is sourced from PubChem (CID 10612276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).