4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine

C13H10N2O3S — CID 91364867

IUPAC4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine
SMILESc1cc2c(c(-c3cc4c(cn3)OCCO4)n1)OCS2
InChIInChI=1S/C13H10N2O3S/c1-2-14-12(13-11(1)19-7-18-13)8-5-9-10(6-15-8)17-4-3-16-9/h1-2,5-6H,3-4,7H2
InChIKeyXANHBRWWYODAED-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.36
Rot. Bonds1

About 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine

4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine (PubChem CID 91364867) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine
PubChem CID91364867
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine
SMILESc1cc2c(c(-c3cc4c(cn3)OCCO4)n1)OCS2
InChIInChI=1S/C13H10N2O3S/c1-2-14-12(13-11(1)19-7-18-13)8-5-9-10(6-15-8)17-4-3-16-9/h1-2,5-6H,3-4,7H2
InChIKeyXANHBRWWYODAED-UHFFFAOYSA-N
XLogP2.36
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine?
The IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine (CID 91364867) is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine.
What is the SMILES notation for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine?
The canonical SMILES for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine is c1cc2c(c(-c3cc4c(cn3)OCCO4)n1)OCS2.
What is the InChIKey of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine?
The InChIKey is XANHBRWWYODAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-2-14-12(13-11(1)19-7-18-13)8-5-9-10(6-15-8)17-4-3-16-9/h1-2,5-6H,3-4,7H2.
What are the key properties of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine?
4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine has a molecular weight of 274.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-[1,3]oxathiolo[5,4-c]pyridine is sourced from PubChem (CID 91364867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).