2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

C16H15BrClNOS — CID 155140654

About 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone (PubChem CID 155140654) has the molecular formula C16H15BrClNOS and a molecular weight of 384.73 g/mol. Its IUPAC name is 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone.

Molecular Properties

• Compound Name: 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
• PubChem CID: 155140654
• Molecular Formula: C16H15BrClNOS
• Molecular Weight: 384.73 g/mol
• Exact Mass: 382.97
• IUPAC Name: 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
• SMILES: Cc1ccccc1[C@H]1CN(C(=O)CBr)Cc2sc(Cl)cc21
• InChI: InChI=1S/C16H15BrClNOS/c1-10-4-2-3-5-11(10)13-8-19(16(20)7-17)9-14-12(13)6-15(18)21-14/h2-6,13H,7-9H2,1H3/t13-/m1/s1
• InChIKey: SSVRTCSVLYOPCP-CYBMUJFWSA-N
• XLogP: 4.58
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.73
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?

The IUPAC name of 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone (CID 155140654) is 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone.

What is the SMILES notation for 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?

The canonical SMILES for 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone is Cc1ccccc1[C@H]1CN(C(=O)CBr)Cc2sc(Cl)cc21.

What is the InChIKey of 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?

The InChIKey is SSVRTCSVLYOPCP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15BrClNOS/c1-10-4-2-3-5-11(10)13-8-19(16(20)7-17)9-14-12(13)6-15(18)21-14/h2-6,13H,7-9H2,1H3/t13-/m1/s1.

What are the key properties of 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?

2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone has a molecular weight of 384.73 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 155140654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).