6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid

C12H9BrN2O3S — CID 79981535

IUPAC6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)Nc2cccc(C(=O)O)n2)sc1Br
InChIInChI=1S/C12H9BrN2O3S/c1-6-5-8(19-10(6)13)11(16)15-9-4-2-3-7(14-9)12(17)18/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyMGMKYBMAIRIURS-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.16
Rot. Bonds3

About 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid

6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 79981535) has the molecular formula C12H9BrN2O3S and a molecular weight of 341.19 g/mol. Its IUPAC name is 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID79981535
Molecular FormulaC12H9BrN2O3S
Molecular Weight341.19 g/mol
Exact Mass339.95
IUPAC Name6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)Nc2cccc(C(=O)O)n2)sc1Br
InChIInChI=1S/C12H9BrN2O3S/c1-6-5-8(19-10(6)13)11(16)15-9-4-2-3-7(14-9)12(17)18/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyMGMKYBMAIRIURS-UHFFFAOYSA-N
XLogP3.16
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 79981535) is 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid is Cc1cc(C(=O)Nc2cccc(C(=O)O)n2)sc1Br.
What is the InChIKey of 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is MGMKYBMAIRIURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3S/c1-6-5-8(19-10(6)13)11(16)15-9-4-2-3-7(14-9)12(17)18/h2-5H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 341.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 79981535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).