2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde

C22H15F2NOS — CID 164939659

IUPAC2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde
SMILESCc1cc(C)cc(-c2nccc3cc(-c4cc(F)cc(F)c4C=O)sc23)c1
InChIInChI=1S/C22H15F2NOS/c1-12-5-13(2)7-15(6-12)21-22-14(3-4-25-21)8-20(27-22)17-9-16(23)10-19(24)18(17)11-26/h3-11H,1-2H3
InChIKeyPWZFWWUPYAWYKL-UHFFFAOYSA-N
MW379.43 g/mol
LogP6.34
Rot. Bonds3

About 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde

2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde (PubChem CID 164939659) has the molecular formula C22H15F2NOS and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde.

Molecular Properties

Compound Name2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde
PubChem CID164939659
Molecular FormulaC22H15F2NOS
Molecular Weight379.43 g/mol
Exact Mass379.08
IUPAC Name2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde
SMILESCc1cc(C)cc(-c2nccc3cc(-c4cc(F)cc(F)c4C=O)sc23)c1
InChIInChI=1S/C22H15F2NOS/c1-12-5-13(2)7-15(6-12)21-22-14(3-4-25-21)8-20(27-22)17-9-16(23)10-19(24)18(17)11-26/h3-11H,1-2H3
InChIKeyPWZFWWUPYAWYKL-UHFFFAOYSA-N
XLogP6.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde?
The IUPAC name of 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde (CID 164939659) is 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde.
What is the SMILES notation for 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde?
The canonical SMILES for 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde is Cc1cc(C)cc(-c2nccc3cc(-c4cc(F)cc(F)c4C=O)sc23)c1.
What is the InChIKey of 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde?
The InChIKey is PWZFWWUPYAWYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NOS/c1-12-5-13(2)7-15(6-12)21-22-14(3-4-25-21)8-20(27-22)17-9-16(23)10-19(24)18(17)11-26/h3-11H,1-2H3.
What are the key properties of 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde?
2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde has a molecular weight of 379.43 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,5-dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde is sourced from PubChem (CID 164939659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).