5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine

C18H12FN3OS — CID 10131902

IUPAC5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine
SMILESFc1ccnc(-c2cc(OCc3ccncc3)c3sccc3n2)c1
InChIInChI=1S/C18H12FN3OS/c19-13-3-7-21-15(9-13)16-10-17(18-14(22-16)4-8-24-18)23-11-12-1-5-20-6-2-12/h1-10H,11H2
InChIKeyBQVAHUXTMRARKX-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.47
Rot. Bonds4

About 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine

5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine (PubChem CID 10131902) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine
PubChem CID10131902
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine
SMILESFc1ccnc(-c2cc(OCc3ccncc3)c3sccc3n2)c1
InChIInChI=1S/C18H12FN3OS/c19-13-3-7-21-15(9-13)16-10-17(18-14(22-16)4-8-24-18)23-11-12-1-5-20-6-2-12/h1-10H,11H2
InChIKeyBQVAHUXTMRARKX-UHFFFAOYSA-N
XLogP4.47
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine?
The IUPAC name of 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine (CID 10131902) is 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine.
What is the SMILES notation for 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine?
The canonical SMILES for 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine is Fc1ccnc(-c2cc(OCc3ccncc3)c3sccc3n2)c1.
What is the InChIKey of 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine?
The InChIKey is BQVAHUXTMRARKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-13-3-7-21-15(9-13)16-10-17(18-14(22-16)4-8-24-18)23-11-12-1-5-20-6-2-12/h1-10H,11H2.
What are the key properties of 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine?
5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine has a molecular weight of 337.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-pyridinyl)-7-(pyridin-4-ylmethoxy)thieno[3,2-b]pyridine is sourced from PubChem (CID 10131902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).