6-acetamido-3-bromopyridine-2-carboxylic acid

C8H7BrN2O3 — CID 25306988

IUPAC6-acetamido-3-bromopyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(Br)c(C(=O)O)n1
InChIInChI=1S/C8H7BrN2O3/c1-4(12)10-6-3-2-5(9)7(11-6)8(13)14/h2-3H,1H3,(H,13,14)(H,10,11,12)
InChIKeyVDJNVGKMWAUADR-UHFFFAOYSA-N
MW259.06 g/mol
LogP1.50
Rot. Bonds2

About 6-acetamido-3-bromopyridine-2-carboxylic acid

6-acetamido-3-bromopyridine-2-carboxylic acid (PubChem CID 25306988) has the molecular formula C8H7BrN2O3 and a molecular weight of 259.06 g/mol. Its IUPAC name is 6-acetamido-3-bromopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-3-bromopyridine-2-carboxylic acid
PubChem CID25306988
Molecular FormulaC8H7BrN2O3
Molecular Weight259.06 g/mol
Exact Mass257.96
IUPAC Name6-acetamido-3-bromopyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(Br)c(C(=O)O)n1
InChIInChI=1S/C8H7BrN2O3/c1-4(12)10-6-3-2-5(9)7(11-6)8(13)14/h2-3H,1H3,(H,13,14)(H,10,11,12)
InChIKeyVDJNVGKMWAUADR-UHFFFAOYSA-N
XLogP1.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-3-bromopyridine-2-carboxylic acid?
The IUPAC name of 6-acetamido-3-bromopyridine-2-carboxylic acid (CID 25306988) is 6-acetamido-3-bromopyridine-2-carboxylic acid.
What is the SMILES notation for 6-acetamido-3-bromopyridine-2-carboxylic acid?
The canonical SMILES for 6-acetamido-3-bromopyridine-2-carboxylic acid is CC(=O)Nc1ccc(Br)c(C(=O)O)n1.
What is the InChIKey of 6-acetamido-3-bromopyridine-2-carboxylic acid?
The InChIKey is VDJNVGKMWAUADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O3/c1-4(12)10-6-3-2-5(9)7(11-6)8(13)14/h2-3H,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 6-acetamido-3-bromopyridine-2-carboxylic acid?
6-acetamido-3-bromopyridine-2-carboxylic acid has a molecular weight of 259.06 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-bromopyridine-2-carboxylic acid is sourced from PubChem (CID 25306988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).