5-bromo-4-fluorothiophene-2-carboxamide

C5H3BrFNOS — CID 121232054

IUPAC5-bromo-4-fluorothiophene-2-carboxamide
SMILESNC(=O)c1cc(F)c(Br)s1
InChIInChI=1S/C5H3BrFNOS/c6-4-2(7)1-3(10-4)5(8)9/h1H,(H2,8,9)
InChIKeyTVUCSYXUAXGRTG-UHFFFAOYSA-N
MW224.05 g/mol
LogP1.75
Rot. Bonds1

About 5-bromo-4-fluorothiophene-2-carboxamide

5-bromo-4-fluorothiophene-2-carboxamide (PubChem CID 121232054) has the molecular formula C5H3BrFNOS and a molecular weight of 224.05 g/mol. Its IUPAC name is 5-bromo-4-fluorothiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-fluorothiophene-2-carboxamide
PubChem CID121232054
Molecular FormulaC5H3BrFNOS
Molecular Weight224.05 g/mol
Exact Mass222.91
IUPAC Name5-bromo-4-fluorothiophene-2-carboxamide
SMILESNC(=O)c1cc(F)c(Br)s1
InChIInChI=1S/C5H3BrFNOS/c6-4-2(7)1-3(10-4)5(8)9/h1H,(H2,8,9)
InChIKeyTVUCSYXUAXGRTG-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dibromothiophene-2-carbohydrazide
CID 1224897
5-bromo-N-hydroxythiophene-2-carboxamide
CID 4962509
5-Bromothiophene-2-carbohydrazide
CID 2063863
5-Bromothiophene-2-carboxamide
CID 605722
3-Bromothiophene-2-carboxamide
CID 605721
4-Bromo-2-thiophenecarboxamide
CID 12836067
5-Bromo-N-methylthiophene-2-carboxamide
CID 21791103
5-Bromo-3-chlorothiophene-2-carboxamide
CID 155820779
3,5-Dibromothiophene-2-carboxamide
CID 85536412
5-Bromo-4-chloro-2-thiophenecarboxamide
CID 139022556
3-Fluorothiophene-2-carboxamide
CID 12836065
5-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60630264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluorothiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-fluorothiophene-2-carboxamide (CID 121232054) is 5-bromo-4-fluorothiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-fluorothiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-fluorothiophene-2-carboxamide is NC(=O)c1cc(F)c(Br)s1.
What is the InChIKey of 5-bromo-4-fluorothiophene-2-carboxamide?
The InChIKey is TVUCSYXUAXGRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNOS/c6-4-2(7)1-3(10-4)5(8)9/h1H,(H2,8,9).
What are the key properties of 5-bromo-4-fluorothiophene-2-carboxamide?
5-bromo-4-fluorothiophene-2-carboxamide has a molecular weight of 224.05 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluorothiophene-2-carboxamide is sourced from PubChem (CID 121232054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).