5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid

C8H6BrNO4 — CID 146050007

IUPAC5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid
SMILESO=C(O)Cc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C8H6BrNO4/c9-4-1-5(8(13)14)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)(H,13,14)
InChIKeyGISFXZZZDHNHBS-UHFFFAOYSA-N
MW260.04 g/mol
LogP1.17
Rot. Bonds3

About 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid

5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid (PubChem CID 146050007) has the molecular formula C8H6BrNO4 and a molecular weight of 260.04 g/mol. Its IUPAC name is 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid
PubChem CID146050007
Molecular FormulaC8H6BrNO4
Molecular Weight260.04 g/mol
Exact Mass258.95
IUPAC Name5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid
SMILESO=C(O)Cc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C8H6BrNO4/c9-4-1-5(8(13)14)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)(H,13,14)
InChIKeyGISFXZZZDHNHBS-UHFFFAOYSA-N
XLogP1.17
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid (CID 146050007) is 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid is O=C(O)Cc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid?
The InChIKey is GISFXZZZDHNHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO4/c9-4-1-5(8(13)14)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)(H,13,14).
What are the key properties of 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid?
5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid has a molecular weight of 260.04 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 146050007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).