3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine

C19H13FN2S — CID 89478780

IUPAC3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine
SMILESCc1ccncc1-c1ccnc2c(-c3ccc(F)cc3)csc12
InChIInChI=1S/C19H13FN2S/c1-12-6-8-21-10-16(12)15-7-9-22-18-17(11-23-19(15)18)13-2-4-14(20)5-3-13/h2-11H,1H3
InChIKeyDAQABJOYNHGDQG-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.47
Rot. Bonds2

About 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine

3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine (PubChem CID 89478780) has the molecular formula C19H13FN2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine
PubChem CID89478780
Molecular FormulaC19H13FN2S
Molecular Weight320.39 g/mol
Exact Mass320.08
IUPAC Name3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine
SMILESCc1ccncc1-c1ccnc2c(-c3ccc(F)cc3)csc12
InChIInChI=1S/C19H13FN2S/c1-12-6-8-21-10-16(12)15-7-9-22-18-17(11-23-19(15)18)13-2-4-14(20)5-3-13/h2-11H,1H3
InChIKeyDAQABJOYNHGDQG-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine (CID 89478780) is 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine is Cc1ccncc1-c1ccnc2c(-c3ccc(F)cc3)csc12.
What is the InChIKey of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine?
The InChIKey is DAQABJOYNHGDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2S/c1-12-6-8-21-10-16(12)15-7-9-22-18-17(11-23-19(15)18)13-2-4-14(20)5-3-13/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine?
3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine has a molecular weight of 320.39 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 89478780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).