5-iodo-4-methoxythiophene-2-carboxylic acid

C6H5IO3S — CID 112706192

IUPAC5-iodo-4-methoxythiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1I
InChIInChI=1S/C6H5IO3S/c1-10-3-2-4(6(8)9)11-5(3)7/h2H,1H3,(H,8,9)
InChIKeyWKEAYRFQZABWGP-UHFFFAOYSA-N
MW284.07 g/mol
LogP2.06
Rot. Bonds2

About 5-iodo-4-methoxythiophene-2-carboxylic acid

5-iodo-4-methoxythiophene-2-carboxylic acid (PubChem CID 112706192) has the molecular formula C6H5IO3S and a molecular weight of 284.07 g/mol. Its IUPAC name is 5-iodo-4-methoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-iodo-4-methoxythiophene-2-carboxylic acid
PubChem CID112706192
Molecular FormulaC6H5IO3S
Molecular Weight284.07 g/mol
Exact Mass283.90
IUPAC Name5-iodo-4-methoxythiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1I
InChIInChI=1S/C6H5IO3S/c1-10-3-2-4(6(8)9)11-5(3)7/h2H,1H3,(H,8,9)
InChIKeyWKEAYRFQZABWGP-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxythiophene-2-carboxylic acid
CID 69334026
7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
CID 23532368
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054
5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 116810851
7-bromo-4-methoxy-1-benzothiophene-2-carboxylic acid
CID 22721627
methyl 2-iodo-3-methoxy-5-methylbenzoate
CID 14138386
bis(5-chloro-4-methoxythiophen-2-yl)methanone
CID 174849819
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
CID 90141254
methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate
CID 139692760
5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid
CID 167931892
4-methoxy-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carboxylic acid
CID 118142550

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methoxythiophene-2-carboxylic acid?
The IUPAC name of 5-iodo-4-methoxythiophene-2-carboxylic acid (CID 112706192) is 5-iodo-4-methoxythiophene-2-carboxylic acid.
What is the SMILES notation for 5-iodo-4-methoxythiophene-2-carboxylic acid?
The canonical SMILES for 5-iodo-4-methoxythiophene-2-carboxylic acid is COc1cc(C(=O)O)sc1I.
What is the InChIKey of 5-iodo-4-methoxythiophene-2-carboxylic acid?
The InChIKey is WKEAYRFQZABWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IO3S/c1-10-3-2-4(6(8)9)11-5(3)7/h2H,1H3,(H,8,9).
What are the key properties of 5-iodo-4-methoxythiophene-2-carboxylic acid?
5-iodo-4-methoxythiophene-2-carboxylic acid has a molecular weight of 284.07 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methoxythiophene-2-carboxylic acid is sourced from PubChem (CID 112706192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).