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

C20H13NOS2 — CID 53375777

IUPAC2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1csc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)c1
InChIInChI=1S/C20H13NOS2/c1-2-6-17-13(5-1)20-15(12-22-17)14(18-7-3-9-23-18)11-16(21-20)19-8-4-10-24-19/h1-11H,12H2
InChIKeyHHEGRSBCAZNKHJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.10
Rot. Bonds2

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

2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine (PubChem CID 53375777) has the molecular formula C20H13NOS2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine
PubChem CID53375777
Molecular FormulaC20H13NOS2
Molecular Weight347.46 g/mol
Exact Mass347.04
IUPAC Name2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1csc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)c1
InChIInChI=1S/C20H13NOS2/c1-2-6-17-13(5-1)20-15(12-22-17)14(18-7-3-9-23-18)11-16(21-20)19-8-4-10-24-19/h1-11H,12H2
InChIKeyHHEGRSBCAZNKHJ-UHFFFAOYSA-N
XLogP6.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine (CID 53375777) is 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine is c1csc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)c1.
What is the InChIKey of 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The InChIKey is HHEGRSBCAZNKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NOS2/c1-2-6-17-13(5-1)20-15(12-22-17)14(18-7-3-9-23-18)11-16(21-20)19-8-4-10-24-19/h1-11H,12H2.
What are the key properties of 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine?
2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine has a molecular weight of 347.46 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dithiophen-2-yl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 53375777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).