methyl 6-acetamido-3-bromopyridine-2-carboxylate

C9H9BrN2O3 — CID 10492453

IUPACmethyl 6-acetamido-3-bromopyridine-2-carboxylate
SMILESCOC(=O)c1nc(NC(C)=O)ccc1Br
InChIInChI=1S/C9H9BrN2O3/c1-5(13)11-7-4-3-6(10)8(12-7)9(14)15-2/h3-4H,1-2H3,(H,11,12,13)
InChIKeyJMJWQHXXOYHKPM-UHFFFAOYSA-N
MW273.09 g/mol
LogP1.59
Rot. Bonds2

About methyl 6-acetamido-3-bromopyridine-2-carboxylate

methyl 6-acetamido-3-bromopyridine-2-carboxylate (PubChem CID 10492453) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is methyl 6-acetamido-3-bromopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetamido-3-bromopyridine-2-carboxylate
PubChem CID10492453
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Namemethyl 6-acetamido-3-bromopyridine-2-carboxylate
SMILESCOC(=O)c1nc(NC(C)=O)ccc1Br
InChIInChI=1S/C9H9BrN2O3/c1-5(13)11-7-4-3-6(10)8(12-7)9(14)15-2/h3-4H,1-2H3,(H,11,12,13)
InChIKeyJMJWQHXXOYHKPM-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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Related Compounds

methyl 3-bromo-6-(5-chloropentylamino)pyridine-2-carboxylate
CID 164864401
methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate
CID 176920492
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
ethane;methyl 6-bromo-3-methylpyridine-2-carboxylate
CID 169269843
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
ethyl 3-bromo-6-(pent-3-ynylamino)pyridine-2-carboxylate
CID 155593753
methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate
CID 154628918
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
dimethyl 2-(4-bromo-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953735
methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
CID 123968717

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetamido-3-bromopyridine-2-carboxylate?
The IUPAC name of methyl 6-acetamido-3-bromopyridine-2-carboxylate (CID 10492453) is methyl 6-acetamido-3-bromopyridine-2-carboxylate.
What is the SMILES notation for methyl 6-acetamido-3-bromopyridine-2-carboxylate?
The canonical SMILES for methyl 6-acetamido-3-bromopyridine-2-carboxylate is COC(=O)c1nc(NC(C)=O)ccc1Br.
What is the InChIKey of methyl 6-acetamido-3-bromopyridine-2-carboxylate?
The InChIKey is JMJWQHXXOYHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-5(13)11-7-4-3-6(10)8(12-7)9(14)15-2/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of methyl 6-acetamido-3-bromopyridine-2-carboxylate?
methyl 6-acetamido-3-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-3-bromopyridine-2-carboxylate is sourced from PubChem (CID 10492453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).