3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol

C22H15NO2S — CID 122188411

IUPAC3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
SMILESOc1cccc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1
InChIInChI=1S/C22H15NO2S/c24-15-6-3-5-14(11-15)17-12-19(21-9-4-10-26-21)23-22-16-7-1-2-8-20(16)25-13-18(17)22/h1-12,24H,13H2
InChIKeySDSHZUSMLKLHBB-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.74
Rot. Bonds2

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

3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol (PubChem CID 122188411) has the molecular formula C22H15NO2S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol.

Molecular Properties

Compound Name3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
PubChem CID122188411
Molecular FormulaC22H15NO2S
Molecular Weight357.43 g/mol
Exact Mass357.08
IUPAC Name3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
SMILESOc1cccc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1
InChIInChI=1S/C22H15NO2S/c24-15-6-3-5-14(11-15)17-12-19(21-9-4-10-26-21)23-22-16-7-1-2-8-20(16)25-13-18(17)22/h1-12,24H,13H2
InChIKeySDSHZUSMLKLHBB-UHFFFAOYSA-N
XLogP5.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The IUPAC name of 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol (CID 122188411) is 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol.
What is the SMILES notation for 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The canonical SMILES for 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol is Oc1cccc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1.
What is the InChIKey of 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The InChIKey is SDSHZUSMLKLHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2S/c24-15-6-3-5-14(11-15)17-12-19(21-9-4-10-26-21)23-22-16-7-1-2-8-20(16)25-13-18(17)22/h1-12,24H,13H2.
What are the key properties of 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol has a molecular weight of 357.43 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol is sourced from PubChem (CID 122188411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).