2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde

C14H6Br2O3S2 — CID 44556553

IUPAC2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde
SMILESO=Cc1c(-c2ccc(Br)s2)oc(-c2ccc(Br)s2)c1C=O
InChIInChI=1S/C14H6Br2O3S2/c15-11-3-1-9(20-11)13-7(5-17)8(6-18)14(19-13)10-2-4-12(16)21-10/h1-6H
InChIKeyGMUPBLSCANIUFD-UHFFFAOYSA-N
MW446.14 g/mol
LogP5.89
Rot. Bonds4

About 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde

2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde (PubChem CID 44556553) has the molecular formula C14H6Br2O3S2 and a molecular weight of 446.14 g/mol. Its IUPAC name is 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde.

Molecular Properties

Compound Name2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde
PubChem CID44556553
Molecular FormulaC14H6Br2O3S2
Molecular Weight446.14 g/mol
Exact Mass443.81
IUPAC Name2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde
SMILESO=Cc1c(-c2ccc(Br)s2)oc(-c2ccc(Br)s2)c1C=O
InChIInChI=1S/C14H6Br2O3S2/c15-11-3-1-9(20-11)13-7(5-17)8(6-18)14(19-13)10-2-4-12(16)21-10/h1-6H
InChIKeyGMUPBLSCANIUFD-UHFFFAOYSA-N
XLogP5.89
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.14
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108
diethyl 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarboxylate
CID 44556916
methyl 5-(5-bromothiophen-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
CID 139762939
2-(5-bromothiophen-2-yl)-2,2-dihydroxyacetaldehyde
CID 87921162
2-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]acetaldehyde
CID 115083567
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazole-4-carbaldehyde
CID 66215780
2-(5-bromothiophen-2-yl)-5-phenylfuran
CID 122234638
3-(5-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141112
2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole
CID 58664159
[5-(5-bromothiophen-2-yl)furan-2-yl]methanol
CID 71530015
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
N-[2-(5-bromothiophen-2-yl)ethyl]formamide
CID 106043586

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde?
The IUPAC name of 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde (CID 44556553) is 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde.
What is the SMILES notation for 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde?
The canonical SMILES for 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde is O=Cc1c(-c2ccc(Br)s2)oc(-c2ccc(Br)s2)c1C=O.
What is the InChIKey of 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde?
The InChIKey is GMUPBLSCANIUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2O3S2/c15-11-3-1-9(20-11)13-7(5-17)8(6-18)14(19-13)10-2-4-12(16)21-10/h1-6H.
What are the key properties of 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde?
2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde has a molecular weight of 446.14 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde is sourced from PubChem (CID 44556553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).