2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine

C22H15NOS — CID 53375775

IUPAC2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C22H15NOS/c1-2-6-15(7-3-1)20-12-18(16-10-11-25-14-16)19-13-24-21-9-5-4-8-17(21)22(19)23-20/h1-12,14H,13H2
InChIKeyHDICVJMWGKXXPO-UHFFFAOYSA-N
MW341.44 g/mol
LogP6.04
Rot. Bonds2

About 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine

2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine (PubChem CID 53375775) has the molecular formula C22H15NOS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
PubChem CID53375775
Molecular FormulaC22H15NOS
Molecular Weight341.44 g/mol
Exact Mass341.09
IUPAC Name2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C22H15NOS/c1-2-6-15(7-3-1)20-12-18(16-10-11-25-14-16)19-13-24-21-9-5-4-8-17(21)22(19)23-20/h1-12,14H,13H2
InChIKeyHDICVJMWGKXXPO-UHFFFAOYSA-N
XLogP6.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine (CID 53375775) is 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine is c1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2OC3)cc1.
What is the InChIKey of 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine?
The InChIKey is HDICVJMWGKXXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NOS/c1-2-6-15(7-3-1)20-12-18(16-10-11-25-14-16)19-13-24-21-9-5-4-8-17(21)22(19)23-20/h1-12,14H,13H2.
What are the key properties of 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine?
2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine has a molecular weight of 341.44 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-thiophen-3-yl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 53375775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).