3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine

C19H21NO4 — CID 102494673

IUPAC3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine
SMILESc1ccc(-c2nc(C3COCCO3)ccc2C2COCCO2)cc1
InChIInChI=1S/C19H21NO4/c1-2-4-14(5-3-1)19-15(17-12-21-8-10-23-17)6-7-16(20-19)18-13-22-9-11-24-18/h1-7,17-18H,8-13H2
InChIKeyCRXSEIJLRCVBJU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.92
Rot. Bonds3

About 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine

3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine (PubChem CID 102494673) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine.

Molecular Properties

Compound Name3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine
PubChem CID102494673
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine
SMILESc1ccc(-c2nc(C3COCCO3)ccc2C2COCCO2)cc1
InChIInChI=1S/C19H21NO4/c1-2-4-14(5-3-1)19-15(17-12-21-8-10-23-17)6-7-16(20-19)18-13-22-9-11-24-18/h1-7,17-18H,8-13H2
InChIKeyCRXSEIJLRCVBJU-UHFFFAOYSA-N
XLogP2.92
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine?
The IUPAC name of 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine (CID 102494673) is 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine.
What is the SMILES notation for 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine?
The canonical SMILES for 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine is c1ccc(-c2nc(C3COCCO3)ccc2C2COCCO2)cc1.
What is the InChIKey of 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine?
The InChIKey is CRXSEIJLRCVBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-4-14(5-3-1)19-15(17-12-21-8-10-23-17)6-7-16(20-19)18-13-22-9-11-24-18/h1-7,17-18H,8-13H2.
What are the key properties of 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine?
3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine has a molecular weight of 327.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine is sourced from PubChem (CID 102494673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).