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

C21H14N2S — CID 102155638

IUPAC2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine
SMILESc1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2C3)nc1
InChIInChI=1S/C21H14N2S/c1-2-7-15-14(6-1)12-17-16(20-9-5-11-24-20)13-19(23-21(15)17)18-8-3-4-10-22-18/h1-11,13H,12H2
InChIKeyWXRUQGIRPBFQBW-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.44
Rot. Bonds2

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

2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine (PubChem CID 102155638) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine
PubChem CID102155638
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine
SMILESc1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2C3)nc1
InChIInChI=1S/C21H14N2S/c1-2-7-15-14(6-1)12-17-16(20-9-5-11-24-20)13-19(23-21(15)17)18-8-3-4-10-22-18/h1-11,13H,12H2
InChIKeyWXRUQGIRPBFQBW-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-2-yl-5H-indeno[1,2-b]pyridine?
The IUPAC name of 2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine (CID 102155638) is 2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine?
The canonical SMILES for 2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine is c1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2C3)nc1.
What is the InChIKey of 2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine?
The InChIKey is WXRUQGIRPBFQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-2-7-15-14(6-1)12-17-16(20-9-5-11-24-20)13-19(23-21(15)17)18-8-3-4-10-22-18/h1-11,13H,12H2.
What are the key properties of 2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine?
2-pyridin-2-yl-4-thiophen-2-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-2-yl-5H-indeno[1,2-b]pyridine is sourced from PubChem (CID 102155638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).