3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid

C11H7BrClNO2S — CID 107989286

IUPAC3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)cc2Br)sc1C(=O)O
InChIInChI=1S/C11H7BrClNO2S/c12-7-3-5(13)1-2-6(7)9-4-8(14)10(17-9)11(15)16/h1-4H,14H2,(H,15,16)
InChIKeyBUNISRUHQOTHQD-UHFFFAOYSA-N
MW332.61 g/mol
LogP4.11
Rot. Bonds2

About 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid

3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid (PubChem CID 107989286) has the molecular formula C11H7BrClNO2S and a molecular weight of 332.61 g/mol. Its IUPAC name is 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid
PubChem CID107989286
Molecular FormulaC11H7BrClNO2S
Molecular Weight332.61 g/mol
Exact Mass330.91
IUPAC Name3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)cc2Br)sc1C(=O)O
InChIInChI=1S/C11H7BrClNO2S/c12-7-3-5(13)1-2-6(7)9-4-8(14)10(17-9)11(15)16/h1-4H,14H2,(H,15,16)
InChIKeyBUNISRUHQOTHQD-UHFFFAOYSA-N
XLogP4.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
CID 83034408
3-amino-5-(5-bromo-2-fluorophenyl)thiophene-2-carboxylic acid
CID 83035554
3-amino-5-(2-bromo-5-iodophenyl)thiophene-2-carboxylic acid
CID 114027789
3-amino-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 83035559
3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid
CID 83035353
3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
CID 83034927
3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
CID 82302278
3-amino-5-(5-bromofuran-2-yl)thiophene-2-carboxylic acid
CID 83037008
5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid
CID 135205788
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid
CID 83034402

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid (CID 107989286) is 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid is Nc1cc(-c2ccc(Cl)cc2Br)sc1C(=O)O.
What is the InChIKey of 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid?
The InChIKey is BUNISRUHQOTHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2S/c12-7-3-5(13)1-2-6(7)9-4-8(14)10(17-9)11(15)16/h1-4H,14H2,(H,15,16).
What are the key properties of 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid?
3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid has a molecular weight of 332.61 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 107989286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).