5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid

C12H8BrNO4S — CID 63802750

IUPAC5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2sccc2Br)ccc1O
InChIInChI=1S/C12H8BrNO4S/c13-8-3-4-19-10(8)11(16)14-6-1-2-9(15)7(5-6)12(17)18/h1-5,15H,(H,14,16)(H,17,18)
InChIKeyVBYPIIPJZGEREK-UHFFFAOYSA-N
MW342.17 g/mol
LogP3.17
Rot. Bonds3

About 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid

5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 63802750) has the molecular formula C12H8BrNO4S and a molecular weight of 342.17 g/mol. Its IUPAC name is 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID63802750
Molecular FormulaC12H8BrNO4S
Molecular Weight342.17 g/mol
Exact Mass340.94
IUPAC Name5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2sccc2Br)ccc1O
InChIInChI=1S/C12H8BrNO4S/c13-8-3-4-19-10(8)11(16)14-6-1-2-9(15)7(5-6)12(17)18/h1-5,15H,(H,14,16)(H,17,18)
InChIKeyVBYPIIPJZGEREK-UHFFFAOYSA-N
XLogP3.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[(3-bromothiophene-2-carbonyl)amino]benzoic acid
CID 113281061
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 113281020
3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60778293
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 47231538
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
3-bromo-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]thiophene-2-carboxamide
CID 60967049
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 138042482
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid (CID 63802750) is 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)c2sccc2Br)ccc1O.
What is the InChIKey of 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is VBYPIIPJZGEREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO4S/c13-8-3-4-19-10(8)11(16)14-6-1-2-9(15)7(5-6)12(17)18/h1-5,15H,(H,14,16)(H,17,18).
What are the key properties of 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 342.17 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 63802750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).