2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine

C21H14N2OS — CID 53377303

IUPAC2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)nc1
InChIInChI=1S/C21H14N2OS/c1-2-8-19-14(6-1)21-16(13-24-19)15(20-9-5-11-25-20)12-18(23-21)17-7-3-4-10-22-17/h1-12H,13H2
InChIKeyOUWAZIDXPNGAHY-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.43
Rot. Bonds2

About 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine

2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine (PubChem CID 53377303) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
PubChem CID53377303
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC Name2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)nc1
InChIInChI=1S/C21H14N2OS/c1-2-8-19-14(6-1)21-16(13-24-19)15(20-9-5-11-25-20)12-18(23-21)17-7-3-4-10-22-17/h1-12H,13H2
InChIKeyOUWAZIDXPNGAHY-UHFFFAOYSA-N
XLogP5.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine (CID 53377303) is 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine is c1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)nc1.
What is the InChIKey of 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The InChIKey is OUWAZIDXPNGAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS/c1-2-8-19-14(6-1)21-16(13-24-19)15(20-9-5-11-25-20)12-18(23-21)17-7-3-4-10-22-17/h1-12H,13H2.
What are the key properties of 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine has a molecular weight of 342.42 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 53377303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).