2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid

C9H9BrO2S — CID 116927002

IUPAC2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1Cc1ccc(Br)s1
InChIInChI=1S/C9H9BrO2S/c10-8-2-1-6(13-8)3-5-4-7(5)9(11)12/h1-2,5,7H,3-4H2,(H,11,12)
InChIKeyHLZUZKYEHCEQFD-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.77
Rot. Bonds3

About 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid

2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116927002) has the molecular formula C9H9BrO2S and a molecular weight of 261.14 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116927002
Molecular FormulaC9H9BrO2S
Molecular Weight261.14 g/mol
Exact Mass259.95
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1Cc1ccc(Br)s1
InChIInChI=1S/C9H9BrO2S/c10-8-2-1-6(13-8)3-5-4-7(5)9(11)12/h1-2,5,7H,3-4H2,(H,11,12)
InChIKeyHLZUZKYEHCEQFD-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042686
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
cis-(1S,2R)-2-[(5-bromothiophen-2-yl)methyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93377066
4-[(5-bromothiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66238008
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
cis-(1R,3S)-3-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319772
1-[(5-bromothiophen-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 112568140
2-bromo-5-[(2-chloro-5-methylcyclohexyl)methyl]thiophene
CID 63461149
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 63461626
3-[(5-bromothiophen-2-yl)methyl]oxan-4-ol
CID 106471228
1-[2-(5-bromothiophen-2-yl)acetyl]piperidine-4-carboxylic acid
CID 119166508
3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451849

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid (CID 116927002) is 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HLZUZKYEHCEQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2S/c10-8-2-1-6(13-8)3-5-4-7(5)9(11)12/h1-2,5,7H,3-4H2,(H,11,12).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid?
2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 261.14 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116927002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).