6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C10H6BrNO3S — CID 45496336

IUPAC6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)s2)[nH]c1=O
InChIInChI=1S/C10H6BrNO3S/c11-8-4-3-7(16-8)6-2-1-5(10(14)15)9(13)12-6/h1-4H,(H,12,13)(H,14,15)
InChIKeyIHJZRWLLRXWDAI-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.56
Rot. Bonds2

About 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid

6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 45496336) has the molecular formula C10H6BrNO3S and a molecular weight of 300.13 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID45496336
Molecular FormulaC10H6BrNO3S
Molecular Weight300.13 g/mol
Exact Mass298.93
IUPAC Name6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)s2)[nH]c1=O
InChIInChI=1S/C10H6BrNO3S/c11-8-4-3-7(16-8)6-2-1-5(10(14)15)9(13)12-6/h1-4H,(H,12,13)(H,14,15)
InChIKeyIHJZRWLLRXWDAI-UHFFFAOYSA-N
XLogP2.56
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 45496336) is 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(Br)s2)[nH]c1=O.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is IHJZRWLLRXWDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3S/c11-8-4-3-7(16-8)6-2-1-5(10(14)15)9(13)12-6/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 300.13 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 45496336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).