2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C18H16ClFN2S2 — CID 156810574

About 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 156810574) has the molecular formula C18H16ClFN2S2 and a molecular weight of 378.93 g/mol. Its IUPAC name is 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

• Compound Name: 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
• PubChem CID: 156810574
• Molecular Formula: C18H16ClFN2S2
• Molecular Weight: 378.93 g/mol
• Exact Mass: 378.04
• IUPAC Name: 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
• SMILES: Cc1cc(-c2cscc2C2CN(C)Cc3sc(Cl)cc32)cnc1F
• InChI: InChI=1S/C18H16ClFN2S2/c1-10-3-11(5-21-18(10)20)14-8-23-9-15(14)13-6-22(2)7-16-12(13)4-17(19)24-16/h3-5,8-9,13H,6-7H2,1-2H3
• InChIKey: RMBPVKVSTOBICC-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 16.13 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.93
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?

The IUPAC name of 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 156810574) is 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

What is the SMILES notation for 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?

The canonical SMILES for 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is Cc1cc(-c2cscc2C2CN(C)Cc3sc(Cl)cc32)cnc1F.

What is the InChIKey of 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?

The InChIKey is RMBPVKVSTOBICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2S2/c1-10-3-11(5-21-18(10)20)14-8-23-9-15(14)13-6-22(2)7-16-12(13)4-17(19)24-16/h3-5,8-9,13H,6-7H2,1-2H3.

What are the key properties of 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?

2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 378.93 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 156810574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).