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

C22H15NO3 — CID 137133402

IUPAC4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccco3)nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H15NO3/c24-15-9-7-14(8-10-15)17-12-19(21-6-3-11-25-21)23-22-16-4-1-2-5-20(16)26-13-18(17)22/h1-12,24H,13H2
InChIKeyXAIJJXFXPNDSAA-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.27
Rot. Bonds2

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

4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol (PubChem CID 137133402) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
PubChem CID137133402
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccco3)nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H15NO3/c24-15-9-7-14(8-10-15)17-12-19(21-6-3-11-25-21)23-22-16-4-1-2-5-20(16)26-13-18(17)22/h1-12,24H,13H2
InChIKeyXAIJJXFXPNDSAA-UHFFFAOYSA-N
XLogP5.27
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol?
The IUPAC name of 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol (CID 137133402) is 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol.
What is the SMILES notation for 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol?
The canonical SMILES for 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol is Oc1ccc(-c2cc(-c3ccco3)nc3c2COc2ccccc2-3)cc1.
What is the InChIKey of 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol?
The InChIKey is XAIJJXFXPNDSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c24-15-9-7-14(8-10-15)17-12-19(21-6-3-11-25-21)23-22-16-4-1-2-5-20(16)26-13-18(17)22/h1-12,24H,13H2.
What are the key properties of 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol?
4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol has a molecular weight of 341.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol is sourced from PubChem (CID 137133402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).