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

C22H15NO2S — CID 137133395

IUPAC2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccsc2)nc2c1COc1ccccc1-2
InChIInChI=1S/C22H15NO2S/c24-20-7-3-1-5-15(20)17-11-19(14-9-10-26-13-14)23-22-16-6-2-4-8-21(16)25-12-18(17)22/h1-11,13,24H,12H2
InChIKeyYXXLQYCQADTHSF-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.74
Rot. Bonds2

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

2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol (PubChem CID 137133395) has the molecular formula C22H15NO2S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol.

Molecular Properties

Compound Name2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
PubChem CID137133395
Molecular FormulaC22H15NO2S
Molecular Weight357.43 g/mol
Exact Mass357.08
IUPAC Name2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccsc2)nc2c1COc1ccccc1-2
InChIInChI=1S/C22H15NO2S/c24-20-7-3-1-5-15(20)17-11-19(14-9-10-26-13-14)23-22-16-6-2-4-8-21(16)25-12-18(17)22/h1-11,13,24H,12H2
InChIKeyYXXLQYCQADTHSF-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 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The IUPAC name of 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol (CID 137133395) is 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol.
What is the SMILES notation for 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The canonical SMILES for 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol is Oc1ccccc1-c1cc(-c2ccsc2)nc2c1COc1ccccc1-2.
What is the InChIKey of 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The InChIKey is YXXLQYCQADTHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2S/c24-20-7-3-1-5-15(20)17-11-19(14-9-10-26-13-14)23-22-16-6-2-4-8-21(16)25-12-18(17)22/h1-11,13,24H,12H2.
What are the key properties of 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
2-(2-thiophen-3-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 2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol is sourced from PubChem (CID 137133395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).