2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine

C24H21N3O3 — CID 146651362

IUPAC2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine
SMILESCc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1
InChIInChI=1S/C24H21N3O3/c1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24/h4-15H,1-3H3
InChIKeyOPUQKVNCXCWRLR-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.17
Rot. Bonds6

About 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine

2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine (PubChem CID 146651362) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine
PubChem CID146651362
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine
SMILESCc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1
InChIInChI=1S/C24H21N3O3/c1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24/h4-15H,1-3H3
InChIKeyOPUQKVNCXCWRLR-UHFFFAOYSA-N
XLogP6.17
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine?
The IUPAC name of 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine (CID 146651362) is 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine.
What is the SMILES notation for 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine?
The canonical SMILES for 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine is Cc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1.
What is the InChIKey of 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine?
The InChIKey is OPUQKVNCXCWRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24/h4-15H,1-3H3.
What are the key properties of 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine?
2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine has a molecular weight of 399.45 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine is sourced from PubChem (CID 146651362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).