3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride

C5H5BrClNO2S — CID 88521756

IUPAC3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1sccc1Br
InChIInChI=1S/C5H4BrNO2S.ClH/c6-3-1-2-10-4(3)5(8)7-9;/h1-2,9H,(H,7,8);1H
InChIKeyJYNXMDGNAHCZMG-UHFFFAOYSA-N
MW258.52 g/mol
LogP2.05
Rot. Bonds1

About 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride

3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride (PubChem CID 88521756) has the molecular formula C5H5BrClNO2S and a molecular weight of 258.52 g/mol. Its IUPAC name is 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
PubChem CID88521756
Molecular FormulaC5H5BrClNO2S
Molecular Weight258.52 g/mol
Exact Mass256.89
IUPAC Name3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1sccc1Br
InChIInChI=1S/C5H4BrNO2S.ClH/c6-3-1-2-10-4(3)5(8)7-9;/h1-2,9H,(H,7,8);1H
InChIKeyJYNXMDGNAHCZMG-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.52
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 47355220
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CID 58831720
3-bromothiophene-2-carbonyl chloride
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3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 102989148
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878426
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
CID 79513810
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
CID 63799545
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
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CID 115598761

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride (CID 88521756) is 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride is Cl.O=C(NO)c1sccc1Br.
What is the InChIKey of 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride?
The InChIKey is JYNXMDGNAHCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2S.ClH/c6-3-1-2-10-4(3)5(8)7-9;/h1-2,9H,(H,7,8);1H.
What are the key properties of 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride?
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride has a molecular weight of 258.52 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 88521756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).