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

C11H8BrNO3S — CID 82124997

IUPAC6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(Br)s1
InChIInChI=1S/C11H8BrNO3S/c1-5-4-6(11(15)16)10(14)13-9(5)7-2-3-8(12)17-7/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyNVBCNWJMOMZGDE-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.87
Rot. Bonds2

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

6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82124997) has the molecular formula C11H8BrNO3S and a molecular weight of 314.16 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82124997
Molecular FormulaC11H8BrNO3S
Molecular Weight314.16 g/mol
Exact Mass312.94
IUPAC Name6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(Br)s1
InChIInChI=1S/C11H8BrNO3S/c1-5-4-6(11(15)16)10(14)13-9(5)7-2-3-8(12)17-7/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyNVBCNWJMOMZGDE-UHFFFAOYSA-N
XLogP2.87
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.87
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)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 82124997) is 6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(Br)s1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is NVBCNWJMOMZGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3S/c1-5-4-6(11(15)16)10(14)13-9(5)7-2-3-8(12)17-7/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-(5-bromothiophen-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 314.16 g/mol, XLogP of 2.87, 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)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82124997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).