6-bromopyridine-2-carboxylic acid

C6H4BrNO2 — CID 593919

IUPAC6-bromopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Br)n1
InChIInChI=1S/C6H4BrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
InChIKeyXURXQNUIGWHWHU-UHFFFAOYSA-N
MW202.01 g/mol
LogP1.54
Rot. Bonds1

About 6-bromopyridine-2-carboxylic acid

6-bromopyridine-2-carboxylic acid (PubChem CID 593919) has the molecular formula C6H4BrNO2 and a molecular weight of 202.01 g/mol. Its IUPAC name is 6-bromopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromopyridine-2-carboxylic acid
PubChem CID593919
Molecular FormulaC6H4BrNO2
Molecular Weight202.01 g/mol
Exact Mass200.94
IUPAC Name6-bromopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Br)n1
InChIInChI=1S/C6H4BrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
InChIKeyXURXQNUIGWHWHU-UHFFFAOYSA-N
XLogP1.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carboxylic acid?
The IUPAC name of 6-bromopyridine-2-carboxylic acid (CID 593919) is 6-bromopyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromopyridine-2-carboxylic acid?
The canonical SMILES for 6-bromopyridine-2-carboxylic acid is O=C(O)c1cccc(Br)n1.
What is the InChIKey of 6-bromopyridine-2-carboxylic acid?
The InChIKey is XURXQNUIGWHWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10).
What are the key properties of 6-bromopyridine-2-carboxylic acid?
6-bromopyridine-2-carboxylic acid has a molecular weight of 202.01 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-2-carboxylic acid is sourced from PubChem (CID 593919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).