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

C11H6Cl2OS — CID 25247619

IUPAC5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C11H6Cl2OS/c12-9-3-1-2-8(11(9)13)10-5-4-7(6-14)15-10/h1-6H
InChIKeyMYTHSIGPBJLEHU-UHFFFAOYSA-N
MW257.14 g/mol
LogP4.53
Rot. Bonds2

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

5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde (PubChem CID 25247619) has the molecular formula C11H6Cl2OS and a molecular weight of 257.14 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde
PubChem CID25247619
Molecular FormulaC11H6Cl2OS
Molecular Weight257.14 g/mol
Exact Mass255.95
IUPAC Name5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C11H6Cl2OS/c12-9-3-1-2-8(11(9)13)10-5-4-7(6-14)15-10/h1-6H
InChIKeyMYTHSIGPBJLEHU-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde (CID 25247619) is 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2cccc(Cl)c2Cl)s1.
What is the InChIKey of 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde?
The InChIKey is MYTHSIGPBJLEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2OS/c12-9-3-1-2-8(11(9)13)10-5-4-7(6-14)15-10/h1-6H.
What are the key properties of 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde?
5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde has a molecular weight of 257.14 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 25247619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).