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

C20H13NO2S — CID 53375673

IUPAC2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1coc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)c1
InChIInChI=1S/C20H13NO2S/c1-2-6-17-13(5-1)20-15(12-23-17)14(19-8-4-10-24-19)11-16(21-20)18-7-3-9-22-18/h1-11H,12H2
InChIKeyZZGWGYGLVDUKBA-UHFFFAOYSA-N
MW331.40 g/mol
LogP5.63
Rot. Bonds2

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

2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine (PubChem CID 53375673) has the molecular formula C20H13NO2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
PubChem CID53375673
Molecular FormulaC20H13NO2S
Molecular Weight331.40 g/mol
Exact Mass331.07
IUPAC Name2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1coc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)c1
InChIInChI=1S/C20H13NO2S/c1-2-6-17-13(5-1)20-15(12-23-17)14(19-8-4-10-24-19)11-16(21-20)18-7-3-9-22-18/h1-11H,12H2
InChIKeyZZGWGYGLVDUKBA-UHFFFAOYSA-N
XLogP5.63
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine (CID 53375673) is 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine is c1coc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)c1.
What is the InChIKey of 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The InChIKey is ZZGWGYGLVDUKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2S/c1-2-6-17-13(5-1)20-15(12-23-17)14(19-8-4-10-24-19)11-16(21-20)18-7-3-9-22-18/h1-11H,12H2.
What are the key properties of 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine has a molecular weight of 331.40 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 53375673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).