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

C22H15NO2S — CID 137133404

IUPAC4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
SMILESOc1ccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H15NO2S/c24-16-7-5-14(6-8-16)18-11-20(15-9-10-26-13-15)23-22-17-3-1-2-4-21(17)25-12-19(18)22/h1-11,13,24H,12H2
InChIKeyBXWJMBLJMHWQLD-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.74
Rot. Bonds2

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

4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol (PubChem CID 137133404) has the molecular formula C22H15NO2S and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol.

Molecular Properties

Compound Name4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
PubChem CID137133404
Molecular FormulaC22H15NO2S
Molecular Weight357.43 g/mol
Exact Mass357.08
IUPAC Name4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
SMILESOc1ccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H15NO2S/c24-16-7-5-14(6-8-16)18-11-20(15-9-10-26-13-15)23-22-17-3-1-2-4-21(17)25-12-19(18)22/h1-11,13,24H,12H2
InChIKeyBXWJMBLJMHWQLD-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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Related Compounds

3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 122188409
3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 122188411
3-[6-(4-Hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137091019
3-[6-(4-Hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
CID 137091024
2-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 137133395
3-[4-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
CID 137133399
4-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
CID 137133400
4-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 137133403
4-(4-Phenyl-6-thiophen-2-yl-2-pyridinyl)phenol
CID 135981239
4-(4-Phenyl-6-thiophen-3-yl-2-pyridinyl)phenol
CID 135981240
2-phenyl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
CID 53375670
4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
CID 53375781

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The IUPAC name of 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol (CID 137133404) is 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol.
What is the SMILES notation for 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The canonical SMILES for 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol is Oc1ccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)cc1.
What is the InChIKey of 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The InChIKey is BXWJMBLJMHWQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2S/c24-16-7-5-14(6-8-16)18-11-20(15-9-10-26-13-15)23-22-17-3-1-2-4-21(17)25-12-19(18)22/h1-11,13,24H,12H2.
What are the key properties of 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
4-(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 4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol is sourced from PubChem (CID 137133404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).