2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine

C20H13NOS2 — CID 118719753

IUPAC2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine
SMILESc1ccc2c(c1)OCc1c(-c3ccsc3)cc(-c3ccsc3)nc1-2
InChIInChI=1S/C20H13NOS2/c1-2-4-19-15(3-1)20-17(10-22-19)16(13-5-7-23-11-13)9-18(21-20)14-6-8-24-12-14/h1-9,11-12H,10H2
InChIKeyOMUVJQFLWOVMHG-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.10
Rot. Bonds2

About 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine

2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine (PubChem CID 118719753) has the molecular formula C20H13NOS2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine
PubChem CID118719753
Molecular FormulaC20H13NOS2
Molecular Weight347.46 g/mol
Exact Mass347.04
IUPAC Name2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine
SMILESc1ccc2c(c1)OCc1c(-c3ccsc3)cc(-c3ccsc3)nc1-2
InChIInChI=1S/C20H13NOS2/c1-2-4-19-15(3-1)20-17(10-22-19)16(13-5-7-23-11-13)9-18(21-20)14-6-8-24-12-14/h1-9,11-12H,10H2
InChIKeyOMUVJQFLWOVMHG-UHFFFAOYSA-N
XLogP6.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine (CID 118719753) is 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine is c1ccc2c(c1)OCc1c(-c3ccsc3)cc(-c3ccsc3)nc1-2.
What is the InChIKey of 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine?
The InChIKey is OMUVJQFLWOVMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NOS2/c1-2-4-19-15(3-1)20-17(10-22-19)16(13-5-7-23-11-13)9-18(21-20)14-6-8-24-12-14/h1-9,11-12H,10H2.
What are the key properties of 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine?
2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine has a molecular weight of 347.46 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(thiophen-3-yl)-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 118719753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).