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

C12H10ClFN2S — CID 79727163

IUPAC5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFc1cc(Cl)cnc1N1CCc2sccc2C1
InChIInChI=1S/C12H10ClFN2S/c13-9-5-10(14)12(15-6-9)16-3-1-11-8(7-16)2-4-17-11/h2,4-6H,1,3,7H2
InChIKeyDBDMDQLANAZARG-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.50
Rot. Bonds1

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

5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 79727163) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID79727163
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFc1cc(Cl)cnc1N1CCc2sccc2C1
InChIInChI=1S/C12H10ClFN2S/c13-9-5-10(14)12(15-6-9)16-3-1-11-8(7-16)2-4-17-11/h2,4-6H,1,3,7H2
InChIKeyDBDMDQLANAZARG-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 79727163) is 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is Fc1cc(Cl)cnc1N1CCc2sccc2C1.
What is the InChIKey of 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is DBDMDQLANAZARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c13-9-5-10(14)12(15-6-9)16-3-1-11-8(7-16)2-4-17-11/h2,4-6H,1,3,7H2.
What are the key properties of 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 268.74 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-fluoro-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 79727163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).