7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine

C19H13FN2OS — CID 126589915

IUPAC7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine
SMILESCc1ccc(Oc2ccnc3cc(-c4ccncc4)sc23)c(F)c1
InChIInChI=1S/C19H13FN2OS/c1-12-2-3-16(14(20)10-12)23-17-6-9-22-15-11-18(24-19(15)17)13-4-7-21-8-5-13/h2-11H,1H3
InChIKeyNZNHTAIJIZRQKG-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.60
Rot. Bonds3

About 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine

7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine (PubChem CID 126589915) has the molecular formula C19H13FN2OS and a molecular weight of 336.39 g/mol. Its IUPAC name is 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine
PubChem CID126589915
Molecular FormulaC19H13FN2OS
Molecular Weight336.39 g/mol
Exact Mass336.07
IUPAC Name7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine
SMILESCc1ccc(Oc2ccnc3cc(-c4ccncc4)sc23)c(F)c1
InChIInChI=1S/C19H13FN2OS/c1-12-2-3-16(14(20)10-12)23-17-6-9-22-15-11-18(24-19(15)17)13-4-7-21-8-5-13/h2-11H,1H3
InChIKeyNZNHTAIJIZRQKG-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine?
The IUPAC name of 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine (CID 126589915) is 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine?
The canonical SMILES for 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine is Cc1ccc(Oc2ccnc3cc(-c4ccncc4)sc23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine?
The InChIKey is NZNHTAIJIZRQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2OS/c1-12-2-3-16(14(20)10-12)23-17-6-9-22-15-11-18(24-19(15)17)13-4-7-21-8-5-13/h2-11H,1H3.
What are the key properties of 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine?
7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine has a molecular weight of 336.39 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methylphenoxy)-2-pyridin-4-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 126589915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).