3-bromothiophene-2-carbonyl chloride

C5H2BrClOS — CID 2797569

IUPAC3-bromothiophene-2-carbonyl chloride
SMILESO=C(Cl)c1sccc1Br
InChIInChI=1S/C5H2BrClOS/c6-3-1-2-9-4(3)5(7)8/h1-2H
InChIKeyQMKGMTULPADQDK-UHFFFAOYSA-N
MW225.49 g/mol
LogP2.89
Rot. Bonds1

About 3-bromothiophene-2-carbonyl chloride

3-bromothiophene-2-carbonyl chloride (PubChem CID 2797569) has the molecular formula C5H2BrClOS and a molecular weight of 225.49 g/mol. Its IUPAC name is 3-bromothiophene-2-carbonyl chloride.

Molecular Properties

Compound Name3-bromothiophene-2-carbonyl chloride
PubChem CID2797569
Molecular FormulaC5H2BrClOS
Molecular Weight225.49 g/mol
Exact Mass223.87
IUPAC Name3-bromothiophene-2-carbonyl chloride
SMILESO=C(Cl)c1sccc1Br
InChIInChI=1S/C5H2BrClOS/c6-3-1-2-9-4(3)5(7)8/h1-2H
InChIKeyQMKGMTULPADQDK-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride
CID 106892123
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 63797030
(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
CID 96896773
1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone
CID 64636279
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
2-(3-bromothiophene-2-carbonyl)propanedinitrile
CID 79169765
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
(3-bromothiophen-2-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 130616054
N'-acetyl-3-bromothiophene-2-carbohydrazide
CID 47355220
(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone
CID 106683861

Frequently Asked Questions

What is the IUPAC name of 3-bromothiophene-2-carbonyl chloride?
The IUPAC name of 3-bromothiophene-2-carbonyl chloride (CID 2797569) is 3-bromothiophene-2-carbonyl chloride.
What is the SMILES notation for 3-bromothiophene-2-carbonyl chloride?
The canonical SMILES for 3-bromothiophene-2-carbonyl chloride is O=C(Cl)c1sccc1Br.
What is the InChIKey of 3-bromothiophene-2-carbonyl chloride?
The InChIKey is QMKGMTULPADQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClOS/c6-3-1-2-9-4(3)5(7)8/h1-2H.
What are the key properties of 3-bromothiophene-2-carbonyl chloride?
3-bromothiophene-2-carbonyl chloride has a molecular weight of 225.49 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromothiophene-2-carbonyl chloride is sourced from PubChem (CID 2797569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).