4-(4-bromophenyl)thiophene-2-carboxylic acid

C11H7BrO2S — CID 2757170

IUPAC4-(4-bromophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H7BrO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChIKeyPZHUPHYFDBYWCQ-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.88
Rot. Bonds2

About 4-(4-bromophenyl)thiophene-2-carboxylic acid

4-(4-bromophenyl)thiophene-2-carboxylic acid (PubChem CID 2757170) has the molecular formula C11H7BrO2S and a molecular weight of 283.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)thiophene-2-carboxylic acid
PubChem CID2757170
Molecular FormulaC11H7BrO2S
Molecular Weight283.15 g/mol
Exact Mass281.94
IUPAC Name4-(4-bromophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H7BrO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChIKeyPZHUPHYFDBYWCQ-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 46313145
4-(4-nitrophenyl)thiophene-2-carboxylic acid
CID 23063734
4-(4-bromophenyl)thiophene-2-carbaldehyde
CID 82379664
4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
CID 53226840
(2S)-2-amino-2-[4-(5-methoxycarbonylthiophen-3-yl)phenyl]acetic acid
CID 66513184
[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone
CID 170851479
4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 117222383
methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81356153
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 53222060
4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61062715

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)thiophene-2-carboxylic acid (CID 2757170) is 4-(4-bromophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)thiophene-2-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-(4-bromophenyl)thiophene-2-carboxylic acid?
The InChIKey is PZHUPHYFDBYWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14).
What are the key properties of 4-(4-bromophenyl)thiophene-2-carboxylic acid?
4-(4-bromophenyl)thiophene-2-carboxylic acid has a molecular weight of 283.15 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2757170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).