2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine

C13H14N2O — CID 145135552

IUPAC2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine
SMILESCc1ccc(Oc2ccncc2C)c(C)n1
InChIInChI=1S/C13H14N2O/c1-9-8-14-7-6-12(9)16-13-5-4-10(2)15-11(13)3/h4-8H,1-3H3
InChIKeyXUPPRHUMSYYQIM-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.19
Rot. Bonds2

About 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine

2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine (PubChem CID 145135552) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine
PubChem CID145135552
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine
SMILESCc1ccc(Oc2ccncc2C)c(C)n1
InChIInChI=1S/C13H14N2O/c1-9-8-14-7-6-12(9)16-13-5-4-10(2)15-11(13)3/h4-8H,1-3H3
InChIKeyXUPPRHUMSYYQIM-UHFFFAOYSA-N
XLogP3.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine?
The IUPAC name of 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine (CID 145135552) is 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine.
What is the SMILES notation for 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine?
The canonical SMILES for 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine is Cc1ccc(Oc2ccncc2C)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine?
The InChIKey is XUPPRHUMSYYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-8-14-7-6-12(9)16-13-5-4-10(2)15-11(13)3/h4-8H,1-3H3.
What are the key properties of 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine?
2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine has a molecular weight of 214.27 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine is sourced from PubChem (CID 145135552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).