2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid

C8H6Br2O2S — CID 102843259

IUPAC2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cc(Br)c(Br)s1
InChIInChI=1S/C8H6Br2O2S/c9-5-2-6(13-7(5)10)3-1-4(3)8(11)12/h2-4H,1H2,(H,11,12)
InChIKeyUMTDONQGPYCQLW-UHFFFAOYSA-N
MW326.01 g/mol
LogP3.46
Rot. Bonds2

About 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid

2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 102843259) has the molecular formula C8H6Br2O2S and a molecular weight of 326.01 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID102843259
Molecular FormulaC8H6Br2O2S
Molecular Weight326.01 g/mol
Exact Mass323.85
IUPAC Name2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cc(Br)c(Br)s1
InChIInChI=1S/C8H6Br2O2S/c9-5-2-6(13-7(5)10)3-1-4(3)8(11)12/h2-4H,1H2,(H,11,12)
InChIKeyUMTDONQGPYCQLW-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.01
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96662930
lithium;trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropane-1-carboxylic acid;hydroxide;hydrate
CID 172858770
2-(4,5-dibromothiophen-2-yl)-1-methyl-7-oxoazepane-3-carboxylic acid
CID 102844511
cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 146201487
trans-(1R,2R)-2-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 141381096
2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130580399
trans-(1R,2R)-2-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 154832180
2-(2-methoxy-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130590503
3-(4,5-dibromothiophen-2-yl)-5-oxo-4-propan-2-ylmorpholine-2-carboxylic acid
CID 102844496
trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 154832497
1-[(4,5-dibromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 102845048
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid (CID 102843259) is 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1cc(Br)c(Br)s1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is UMTDONQGPYCQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O2S/c9-5-2-6(13-7(5)10)3-1-4(3)8(11)12/h2-4H,1H2,(H,11,12).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid?
2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 326.01 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102843259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).