5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde

C11H5BrCl2OS — CID 107792476

IUPAC5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)c(Cl)c2Cl)s1
InChIInChI=1S/C11H5BrCl2OS/c12-8-3-2-7(10(13)11(8)14)9-4-1-6(5-15)16-9/h1-5H
InChIKeyQVHKCRABGLSEQV-UHFFFAOYSA-N
MW336.04 g/mol
LogP5.30
Rot. Bonds2

About 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde

5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde (PubChem CID 107792476) has the molecular formula C11H5BrCl2OS and a molecular weight of 336.04 g/mol. Its IUPAC name is 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde
PubChem CID107792476
Molecular FormulaC11H5BrCl2OS
Molecular Weight336.04 g/mol
Exact Mass333.86
IUPAC Name5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)c(Cl)c2Cl)s1
InChIInChI=1S/C11H5BrCl2OS/c12-8-3-2-7(10(13)11(8)14)9-4-1-6(5-15)16-9/h1-5H
InChIKeyQVHKCRABGLSEQV-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.04
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde (CID 107792476) is 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(Br)c(Cl)c2Cl)s1.
What is the InChIKey of 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde?
The InChIKey is QVHKCRABGLSEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2OS/c12-8-3-2-7(10(13)11(8)14)9-4-1-6(5-15)16-9/h1-5H.
What are the key properties of 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde?
5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde has a molecular weight of 336.04 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 107792476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).