2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine

C29H25N5O2 — CID 91376410

IUPAC2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine
SMILESc1ccc(C(OCc2cccc(COC(c3ccccn3)c3ccccn3)n2)c2ccccn2)nc1
InChIInChI=1S/C29H25N5O2/c1-5-16-30-24(12-1)28(25-13-2-6-17-31-25)35-20-22-10-9-11-23(34-22)21-36-29(26-14-3-7-18-32-26)27-15-4-8-19-33-27/h1-19,28-29H,20-21H2
InChIKeyOAQQUYKQZMICAQ-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.27
Rot. Bonds10

About 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine

2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine (PubChem CID 91376410) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine
PubChem CID91376410
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC Name2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine
SMILESc1ccc(C(OCc2cccc(COC(c3ccccn3)c3ccccn3)n2)c2ccccn2)nc1
InChIInChI=1S/C29H25N5O2/c1-5-16-30-24(12-1)28(25-13-2-6-17-31-25)35-20-22-10-9-11-23(34-22)21-36-29(26-14-3-7-18-32-26)27-15-4-8-19-33-27/h1-19,28-29H,20-21H2
InChIKeyOAQQUYKQZMICAQ-UHFFFAOYSA-N
XLogP5.27
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2R)-2,3-dihexoxypropoxy]methyl]-6-pyridin-2-ylpyridine
CID 131635625
2-[[(2R)-2,3-dihexadecoxypropoxy]methyl]-6-pyridin-2-ylpyridine
CID 131635626
2,6-Bis([(2-pyridinylmethyl)oxy]methyl)pyridine
CID 102099700
2-(Oxan-2-yl)pyridine
CID 21411748
2-[Methoxy(pyridin-2-yl)methyl]pyridine
CID 90274004
2,6-Bis[bis(2-pyridyl)hydroxymethyl]pyridine
CID 90820104
(2-Bis(2-pyridyl)(methoxy)methyl-6-pyridylpyridine)
CID 132280725
[6-[6-[[6-(6-Methyl-2-pyridyl)-2-pyridyl]methoxymethyl]-2-pyridyl]-2-pyridyl]methanol
CID 393207
4-Ethenyl-1,2,3-trifluoro-5,6,6-trimethyl-3,4,5-tripyridin-2-yl-2-(pyridin-2-ylmethoxy)piperidine
CID 141385665
2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine
CID 11356070
2-[Methoxy(dipyridin-2-yl)methyl]pyridine
CID 15393273
Tris(6-pyridin-2-yl-2-pyridinyl)methanol
CID 90818925

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine?
The IUPAC name of 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine (CID 91376410) is 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine.
What is the SMILES notation for 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine?
The canonical SMILES for 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine is c1ccc(C(OCc2cccc(COC(c3ccccn3)c3ccccn3)n2)c2ccccn2)nc1.
What is the InChIKey of 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine?
The InChIKey is OAQQUYKQZMICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-5-16-30-24(12-1)28(25-13-2-6-17-31-25)35-20-22-10-9-11-23(34-22)21-36-29(26-14-3-7-18-32-26)27-15-4-8-19-33-27/h1-19,28-29H,20-21H2.
What are the key properties of 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine?
2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine has a molecular weight of 475.55 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dipyridin-2-ylmethoxymethyl)pyridine is sourced from PubChem (CID 91376410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).