4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine

C22H15NO2 — CID 53375675

IUPAC4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C22H15NO2/c1-2-6-15(7-3-1)20-12-18(16-10-11-24-13-16)19-14-25-21-9-5-4-8-17(21)22(19)23-20/h1-13H,14H2
InChIKeyIKLLCMKJCLCFOG-UHFFFAOYSA-N
MW325.37 g/mol
LogP5.57
Rot. Bonds2

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

4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine (PubChem CID 53375675) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine
PubChem CID53375675
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C22H15NO2/c1-2-6-15(7-3-1)20-12-18(16-10-11-24-13-16)19-14-25-21-9-5-4-8-17(21)22(19)23-20/h1-13H,14H2
InChIKeyIKLLCMKJCLCFOG-UHFFFAOYSA-N
XLogP5.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine (CID 53375675) is 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine is c1ccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2OC3)cc1.
What is the InChIKey of 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine?
The InChIKey is IKLLCMKJCLCFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c1-2-6-15(7-3-1)20-12-18(16-10-11-24-13-16)19-14-25-21-9-5-4-8-17(21)22(19)23-20/h1-13H,14H2.
What are the key properties of 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine?
4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine has a molecular weight of 325.37 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-phenyl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 53375675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).