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3-Methyl-5-[5-(trifluoromethyl)pyridin-2-yl]thiophene-2-carbaldehyde

HCID 21986306
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(-c2ccc(C(F)(F)F)cn2)sc1C=O
InChIKey
LQEZPKNBOYGMCD-UHFFFAOYSA-N
Molecular formula
C12H8F3NOS
Average molar mass
271.26 g/mol

Names & identifiers

Preferred name
3-Methyl-5-[5-(trifluoromethyl)pyridin-2-yl]thiophene-2-carbaldehyde
IUPAC
3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]thiophene-2-carbaldehyde

Names & synonyms

3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]thiophene-2-carbaldehydeSCHEMBL5861652

Database identifiers

PubChem CID
21986306

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
58.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
310

Related reactions

2 records
New reaction record
HRID 9658 reaction equation
HRID 9658As reactantuspto-grants-2006_08
HRID 1538959 reaction equation
HRID 1538959As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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