2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine

C21H14N2S — CID 118719747

IUPAC2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)nc1
InChIInChI=1S/C21H14N2S/c1-2-6-16-14(5-1)11-18-17(15-8-10-24-13-15)12-20(23-21(16)18)19-7-3-4-9-22-19/h1-10,12-13H,11H2
InChIKeyRJWINFQGJPLMLQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.44
Rot. Bonds2

About 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine

2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine (PubChem CID 118719747) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine
PubChem CID118719747
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)nc1
InChIInChI=1S/C21H14N2S/c1-2-6-16-14(5-1)11-18-17(15-8-10-24-13-15)12-20(23-21(16)18)19-7-3-4-9-22-19/h1-10,12-13H,11H2
InChIKeyRJWINFQGJPLMLQ-UHFFFAOYSA-N
XLogP5.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine?
The IUPAC name of 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine (CID 118719747) is 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine?
The canonical SMILES for 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine is c1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)nc1.
What is the InChIKey of 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine?
The InChIKey is RJWINFQGJPLMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-2-6-16-14(5-1)11-18-17(15-8-10-24-13-15)12-20(23-21(16)18)19-7-3-4-9-22-19/h1-10,12-13H,11H2.
What are the key properties of 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine?
2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine has a molecular weight of 326.42 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine is sourced from PubChem (CID 118719747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).