6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid

C8H8BrNO4 — CID 118643944

IUPAC6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid
SMILESCCOc1cc(Br)nc(C(=O)O)c1O
InChIInChI=1S/C8H8BrNO4/c1-2-14-4-3-5(9)10-6(7(4)11)8(12)13/h3,11H,2H2,1H3,(H,12,13)
InChIKeyMDEIXNMTXFRUGR-UHFFFAOYSA-N
MW262.06 g/mol
LogP1.65
Rot. Bonds3

About 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid

6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid (PubChem CID 118643944) has the molecular formula C8H8BrNO4 and a molecular weight of 262.06 g/mol. Its IUPAC name is 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid
PubChem CID118643944
Molecular FormulaC8H8BrNO4
Molecular Weight262.06 g/mol
Exact Mass260.96
IUPAC Name6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid
SMILESCCOc1cc(Br)nc(C(=O)O)c1O
InChIInChI=1S/C8H8BrNO4/c1-2-14-4-3-5(9)10-6(7(4)11)8(12)13/h3,11H,2H2,1H3,(H,12,13)
InChIKeyMDEIXNMTXFRUGR-UHFFFAOYSA-N
XLogP1.65
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid (CID 118643944) is 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid is CCOc1cc(Br)nc(C(=O)O)c1O.
What is the InChIKey of 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid?
The InChIKey is MDEIXNMTXFRUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO4/c1-2-14-4-3-5(9)10-6(7(4)11)8(12)13/h3,11H,2H2,1H3,(H,12,13).
What are the key properties of 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid?
6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid has a molecular weight of 262.06 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid is sourced from PubChem (CID 118643944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).