2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine

C15H15NO3S — CID 67314304

IUPAC2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine
SMILESc1ccc(Sc2ccc(OCC3OCCO3)cc2)nc1
InChIInChI=1S/C15H15NO3S/c1-2-8-16-14(3-1)20-13-6-4-12(5-7-13)19-11-15-17-9-10-18-15/h1-8,15H,9-11H2
InChIKeyQYMRAZSLIUESLJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.98
Rot. Bonds5

About 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine

2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine (PubChem CID 67314304) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine
PubChem CID67314304
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine
SMILESc1ccc(Sc2ccc(OCC3OCCO3)cc2)nc1
InChIInChI=1S/C15H15NO3S/c1-2-8-16-14(3-1)20-13-6-4-12(5-7-13)19-11-15-17-9-10-18-15/h1-8,15H,9-11H2
InChIKeyQYMRAZSLIUESLJ-UHFFFAOYSA-N
XLogP2.98
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine?
The IUPAC name of 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine (CID 67314304) is 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine.
What is the SMILES notation for 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine?
The canonical SMILES for 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine is c1ccc(Sc2ccc(OCC3OCCO3)cc2)nc1.
What is the InChIKey of 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine?
The InChIKey is QYMRAZSLIUESLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-8-16-14(3-1)20-13-6-4-12(5-7-13)19-11-15-17-9-10-18-15/h1-8,15H,9-11H2.
What are the key properties of 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine?
2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine has a molecular weight of 289.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-2-ylmethoxy)phenyl]sulfanylpyridine is sourced from PubChem (CID 67314304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).