2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid

C10H7BrO4S — CID 107432484

IUPAC2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C(O)c1sccc1Br
InChIInChI=1S/C10H7BrO4S/c11-6-2-4-16-9(6)7(12)8-5(10(13)14)1-3-15-8/h1-4,7,12H,(H,13,14)
InChIKeyNNLMNWQNWVSDFL-UHFFFAOYSA-N
MW303.13 g/mol
LogP2.88
Rot. Bonds3

About 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid

2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid (PubChem CID 107432484) has the molecular formula C10H7BrO4S and a molecular weight of 303.13 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
PubChem CID107432484
Molecular FormulaC10H7BrO4S
Molecular Weight303.13 g/mol
Exact Mass301.92
IUPAC Name2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C(O)c1sccc1Br
InChIInChI=1S/C10H7BrO4S/c11-6-2-4-16-9(6)7(12)8-5(10(13)14)1-3-15-8/h1-4,7,12H,(H,13,14)
InChIKeyNNLMNWQNWVSDFL-UHFFFAOYSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromofuran-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432708
2-[(5-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432083
2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid
CID 107432097
2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432210
2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432639
2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432672
2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432102
2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid
CID 107432647
2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid
CID 107432373
2-(1-hydroxy-3-methylbutyl)furan-3-carboxylic acid
CID 23503257
2-[(2-chloro-3,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432216
2-[(3-bromothiophen-2-yl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392585

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid (CID 107432484) is 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid is O=C(O)c1ccoc1C(O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid?
The InChIKey is NNLMNWQNWVSDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO4S/c11-6-2-4-16-9(6)7(12)8-5(10(13)14)1-3-15-8/h1-4,7,12H,(H,13,14).
What are the key properties of 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid?
2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid has a molecular weight of 303.13 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid is sourced from PubChem (CID 107432484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).