5-bromo-3-formylpyridine-2-carboxylic acid

C7H4BrNO3 — CID 90456773

IUPAC5-bromo-3-formylpyridine-2-carboxylic acid
SMILESO=Cc1cc(Br)cnc1C(=O)O
InChIInChI=1S/C7H4BrNO3/c8-5-1-4(3-10)6(7(11)12)9-2-5/h1-3H,(H,11,12)
InChIKeyKZLKJZJGDNFDOI-UHFFFAOYSA-N
MW230.02 g/mol
LogP1.35
Rot. Bonds2

About 5-bromo-3-formylpyridine-2-carboxylic acid

5-bromo-3-formylpyridine-2-carboxylic acid (PubChem CID 90456773) has the molecular formula C7H4BrNO3 and a molecular weight of 230.02 g/mol. Its IUPAC name is 5-bromo-3-formylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-formylpyridine-2-carboxylic acid
PubChem CID90456773
Molecular FormulaC7H4BrNO3
Molecular Weight230.02 g/mol
Exact Mass228.94
IUPAC Name5-bromo-3-formylpyridine-2-carboxylic acid
SMILESO=Cc1cc(Br)cnc1C(=O)O
InChIInChI=1S/C7H4BrNO3/c8-5-1-4(3-10)6(7(11)12)9-2-5/h1-3H,(H,11,12)
InChIKeyKZLKJZJGDNFDOI-UHFFFAOYSA-N
XLogP1.35
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-formylpyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-3-formylpyridine-2-carboxylic acid (CID 90456773) is 5-bromo-3-formylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-formylpyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-formylpyridine-2-carboxylic acid is O=Cc1cc(Br)cnc1C(=O)O.
What is the InChIKey of 5-bromo-3-formylpyridine-2-carboxylic acid?
The InChIKey is KZLKJZJGDNFDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO3/c8-5-1-4(3-10)6(7(11)12)9-2-5/h1-3H,(H,11,12).
What are the key properties of 5-bromo-3-formylpyridine-2-carboxylic acid?
5-bromo-3-formylpyridine-2-carboxylic acid has a molecular weight of 230.02 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-formylpyridine-2-carboxylic acid is sourced from PubChem (CID 90456773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).