6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid

C11H7BrN2O3S — CID 63644140

IUPAC6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)O)n1)c1csc(Br)c1
InChIInChI=1S/C11H7BrN2O3S/c12-8-4-6(5-18-8)10(15)14-9-3-1-2-7(13-9)11(16)17/h1-5H,(H,16,17)(H,13,14,15)
InChIKeySYPAQAOHNFFQJL-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.86
Rot. Bonds3

About 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid

6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 63644140) has the molecular formula C11H7BrN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID63644140
Molecular FormulaC11H7BrN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.94
IUPAC Name6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)O)n1)c1csc(Br)c1
InChIInChI=1S/C11H7BrN2O3S/c12-8-4-6(5-18-8)10(15)14-9-3-1-2-7(13-9)11(16)17/h1-5H,(H,16,17)(H,13,14,15)
InChIKeySYPAQAOHNFFQJL-UHFFFAOYSA-N
XLogP2.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid (CID 63644140) is 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid is O=C(Nc1cccc(C(=O)O)n1)c1csc(Br)c1.
What is the InChIKey of 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is SYPAQAOHNFFQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3S/c12-8-4-6(5-18-8)10(15)14-9-3-1-2-7(13-9)11(16)17/h1-5H,(H,16,17)(H,13,14,15).
What are the key properties of 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid?
6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 327.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophene-3-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63644140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).