2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid

C8H4BrNO3S — CID 83668070

IUPAC2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sc(Br)cc2[nH]c1=O
InChIInChI=1S/C8H4BrNO3S/c9-6-2-4-5(14-6)1-3(8(12)13)7(11)10-4/h1-2H,(H,10,11)(H,12,13)
InChIKeyCBIPQUQBGVFGJY-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.05
Rot. Bonds1

About 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid

2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 83668070) has the molecular formula C8H4BrNO3S and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID83668070
Molecular FormulaC8H4BrNO3S
Molecular Weight274.10 g/mol
Exact Mass272.91
IUPAC Name2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sc(Br)cc2[nH]c1=O
InChIInChI=1S/C8H4BrNO3S/c9-6-2-4-5(14-6)1-3(8(12)13)7(11)10-4/h1-2H,(H,10,11)(H,12,13)
InChIKeyCBIPQUQBGVFGJY-UHFFFAOYSA-N
XLogP2.05
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-Bromo-2-thienyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 45496336
5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 23130748
7-Chloro-4,5-dihydro-5-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 133632223
ethyl 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
CID 176129773
5-oxo-2-prop-1-en-2-yl-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 176129808
2-ethyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 176129977
2-ethenyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 176129980
2-(cyclohexen-1-yl)-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 176129984
7-Bromo-4,5-dihydro-5-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 15565857
6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82124997

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid (CID 83668070) is 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cc2sc(Br)cc2[nH]c1=O.
What is the InChIKey of 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is CBIPQUQBGVFGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO3S/c9-6-2-4-5(14-6)1-3(8(12)13)7(11)10-4/h1-2H,(H,10,11)(H,12,13).
What are the key properties of 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid?
2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 274.10 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 83668070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).