5-bromo-3-chlorothiophene-2-carboxamide

C5H3BrClNOS — CID 155820779

IUPAC5-bromo-3-chlorothiophene-2-carboxamide
SMILESNC(=O)c1sc(Br)cc1Cl
InChIInChI=1S/C5H3BrClNOS/c6-3-1-2(7)4(10-3)5(8)9/h1H,(H2,8,9)
InChIKeyRMYIZBJGFRCIHF-UHFFFAOYSA-N
MW240.51 g/mol
LogP2.26
Rot. Bonds1

About 5-bromo-3-chlorothiophene-2-carboxamide

5-bromo-3-chlorothiophene-2-carboxamide (PubChem CID 155820779) has the molecular formula C5H3BrClNOS and a molecular weight of 240.51 g/mol. Its IUPAC name is 5-bromo-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-chlorothiophene-2-carboxamide
PubChem CID155820779
Molecular FormulaC5H3BrClNOS
Molecular Weight240.51 g/mol
Exact Mass238.88
IUPAC Name5-bromo-3-chlorothiophene-2-carboxamide
SMILESNC(=O)c1sc(Br)cc1Cl
InChIInChI=1S/C5H3BrClNOS/c6-3-1-2(7)4(10-3)5(8)9/h1H,(H2,8,9)
InChIKeyRMYIZBJGFRCIHF-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chlorothiophene-2-carboxamide
CID 5172545
3-Chloro-2-thiophenecarboxamide
CID 2808088
5-Bromothiophene-2-carboxamide
CID 605722
3-Bromothiophene-2-carboxamide
CID 605721
4-Bromo-2-thiophenecarboxamide
CID 12836067
3,5-Dibromothiophene-2-carboxamide
CID 85536412
5-Bromo-4-chloro-2-thiophenecarboxamide
CID 139022556
5-Bromo-3-fluorothiophene-2-carboxamide
CID 121229185
5-Bromo-4-fluorothiophene-2-carboxamide
CID 121232054
4-Bromo-5-fluorothiophene-2-carboxamide
CID 121229201
4,5-Dibromothiophene-2-carboxamide
CID 15790563
4,5-Dichlorothiophene-2-carboxamide
CID 18938045

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chlorothiophene-2-carboxamide?
The IUPAC name of 5-bromo-3-chlorothiophene-2-carboxamide (CID 155820779) is 5-bromo-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-3-chlorothiophene-2-carboxamide?
The canonical SMILES for 5-bromo-3-chlorothiophene-2-carboxamide is NC(=O)c1sc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chlorothiophene-2-carboxamide?
The InChIKey is RMYIZBJGFRCIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNOS/c6-3-1-2(7)4(10-3)5(8)9/h1H,(H2,8,9).
What are the key properties of 5-bromo-3-chlorothiophene-2-carboxamide?
5-bromo-3-chlorothiophene-2-carboxamide has a molecular weight of 240.51 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 155820779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).