4-(1,4-dioxan-2-yl)-2-phenylpyridine

C15H15NO2 — CID 135025253

IUPAC4-(1,4-dioxan-2-yl)-2-phenylpyridine
SMILESc1ccc(-c2cc(C3COCCO3)ccn2)cc1
InChIInChI=1S/C15H15NO2/c1-2-4-12(5-3-1)14-10-13(6-7-16-14)15-11-17-8-9-18-15/h1-7,10,15H,8-9,11H2
InChIKeyDHUVFFXEJKPNKZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.84
Rot. Bonds2

About 4-(1,4-dioxan-2-yl)-2-phenylpyridine

4-(1,4-dioxan-2-yl)-2-phenylpyridine (PubChem CID 135025253) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)-2-phenylpyridine.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)-2-phenylpyridine
PubChem CID135025253
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-(1,4-dioxan-2-yl)-2-phenylpyridine
SMILESc1ccc(-c2cc(C3COCCO3)ccn2)cc1
InChIInChI=1S/C15H15NO2/c1-2-4-12(5-3-1)14-10-13(6-7-16-14)15-11-17-8-9-18-15/h1-7,10,15H,8-9,11H2
InChIKeyDHUVFFXEJKPNKZ-UHFFFAOYSA-N
XLogP2.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)-2-phenylpyridine?
The IUPAC name of 4-(1,4-dioxan-2-yl)-2-phenylpyridine (CID 135025253) is 4-(1,4-dioxan-2-yl)-2-phenylpyridine.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)-2-phenylpyridine?
The canonical SMILES for 4-(1,4-dioxan-2-yl)-2-phenylpyridine is c1ccc(-c2cc(C3COCCO3)ccn2)cc1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)-2-phenylpyridine?
The InChIKey is DHUVFFXEJKPNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-4-12(5-3-1)14-10-13(6-7-16-14)15-11-17-8-9-18-15/h1-7,10,15H,8-9,11H2.
What are the key properties of 4-(1,4-dioxan-2-yl)-2-phenylpyridine?
4-(1,4-dioxan-2-yl)-2-phenylpyridine has a molecular weight of 241.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-yl)-2-phenylpyridine is sourced from PubChem (CID 135025253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).