2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid

C10H6Br2O3S2 — CID 107432672

IUPAC2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H6Br2O3S2/c11-5-3-6(17-9(5)12)7(13)8-4(10(14)15)1-2-16-8/h1-3,7,13H,(H,14,15)
InChIKeySLMQZUCINGAQOL-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.11
Rot. Bonds3

About 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid

2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid (PubChem CID 107432672) has the molecular formula C10H6Br2O3S2 and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid
PubChem CID107432672
Molecular FormulaC10H6Br2O3S2
Molecular Weight398.10 g/mol
Exact Mass395.81
IUPAC Name2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H6Br2O3S2/c11-5-3-6(17-9(5)12)7(13)8-4(10(14)15)1-2-16-8/h1-3,7,13H,(H,14,15)
InChIKeySLMQZUCINGAQOL-UHFFFAOYSA-N
XLogP4.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.11
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-[(3,5-dimethylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432220
2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430671
2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432637
2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid
CID 107432097
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene
CID 80534116
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
CID 107432176
2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432484
(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 80535842
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid (CID 107432672) is 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid is O=C(O)c1ccsc1C(O)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid?
The InChIKey is SLMQZUCINGAQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O3S2/c11-5-3-6(17-9(5)12)7(13)8-4(10(14)15)1-2-16-8/h1-3,7,13H,(H,14,15).
What are the key properties of 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid?
2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid has a molecular weight of 398.10 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107432672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).