2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone

C15H9Cl2NOS — CID 81146391

IUPAC2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cnc2ccsc2c1
InChIInChI=1S/C15H9Cl2NOS/c16-11-2-1-3-12(17)10(11)7-14(19)9-6-15-13(18-8-9)4-5-20-15/h1-6,8H,7H2
InChIKeyHJXLHDRCNZLGEE-UHFFFAOYSA-N
MW322.22 g/mol
LogP5.03
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone

2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone (PubChem CID 81146391) has the molecular formula C15H9Cl2NOS and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
PubChem CID81146391
Molecular FormulaC15H9Cl2NOS
Molecular Weight322.22 g/mol
Exact Mass320.98
IUPAC Name2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cnc2ccsc2c1
InChIInChI=1S/C15H9Cl2NOS/c16-11-2-1-3-12(17)10(11)7-14(19)9-6-15-13(18-8-9)4-5-20-15/h1-6,8H,7H2
InChIKeyHJXLHDRCNZLGEE-UHFFFAOYSA-N
XLogP5.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.22
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81148519
1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
CID 81147974
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81147988
2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 83171844
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81143648
1-thieno[3,2-b]pyridin-6-ylhexan-1-one
CID 81148126
phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
CID 81146669
2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146664
pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81144115
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone (CID 81146391) is 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone is O=C(Cc1c(Cl)cccc1Cl)c1cnc2ccsc2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The InChIKey is HJXLHDRCNZLGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NOS/c16-11-2-1-3-12(17)10(11)7-14(19)9-6-15-13(18-8-9)4-5-20-15/h1-6,8H,7H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone?
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone has a molecular weight of 322.22 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone is sourced from PubChem (CID 81146391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).