5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid

C11H7BrN2O3S — CID 55153618

IUPAC5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1ccc(Br)cn1
InChIInChI=1S/C11H7BrN2O3S/c12-6-1-2-7(13-5-6)10(15)14-9-4-3-8(18-9)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyXGSFWTMMZOJHJY-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.86
Rot. Bonds3

About 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid

5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 55153618) has the molecular formula C11H7BrN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID55153618
Molecular FormulaC11H7BrN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.94
IUPAC Name5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1ccc(Br)cn1
InChIInChI=1S/C11H7BrN2O3S/c12-6-1-2-7(13-5-6)10(15)14-9-4-3-8(18-9)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyXGSFWTMMZOJHJY-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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Related Compounds

5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid
CID 43474934
5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43474930
3-[(5-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262373
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
5-bromo-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 55209020
2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
CID 107048547
3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 63111791
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 55153618) is 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccc(C(=O)O)s1)c1ccc(Br)cn1.
What is the InChIKey of 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is XGSFWTMMZOJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3S/c12-6-1-2-7(13-5-6)10(15)14-9-4-3-8(18-9)11(16)17/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
5-[(5-bromopyridine-2-carbonyl)amino]thiophene-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 5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 55153618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).