2,3-ditert-butyl-5,6-dimethoxypyridine

C15H25NO2 — CID 155787492

IUPAC2,3-ditert-butyl-5,6-dimethoxypyridine
SMILESCOc1cc(C(C)(C)C)c(C(C)(C)C)nc1OC
InChIInChI=1S/C15H25NO2/c1-14(2,3)10-9-11(17-7)13(18-8)16-12(10)15(4,5)6/h9H,1-8H3
InChIKeyTXYLZEJGHQHHMX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.69
Rot. Bonds2

About 2,3-ditert-butyl-5,6-dimethoxypyridine

2,3-ditert-butyl-5,6-dimethoxypyridine (PubChem CID 155787492) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,3-ditert-butyl-5,6-dimethoxypyridine.

Molecular Properties

Compound Name2,3-ditert-butyl-5,6-dimethoxypyridine
PubChem CID155787492
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2,3-ditert-butyl-5,6-dimethoxypyridine
SMILESCOc1cc(C(C)(C)C)c(C(C)(C)C)nc1OC
InChIInChI=1S/C15H25NO2/c1-14(2,3)10-9-11(17-7)13(18-8)16-12(10)15(4,5)6/h9H,1-8H3
InChIKeyTXYLZEJGHQHHMX-UHFFFAOYSA-N
XLogP3.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5,6-dimethoxypyridine?
The IUPAC name of 2,3-ditert-butyl-5,6-dimethoxypyridine (CID 155787492) is 2,3-ditert-butyl-5,6-dimethoxypyridine.
What is the SMILES notation for 2,3-ditert-butyl-5,6-dimethoxypyridine?
The canonical SMILES for 2,3-ditert-butyl-5,6-dimethoxypyridine is COc1cc(C(C)(C)C)c(C(C)(C)C)nc1OC.
What is the InChIKey of 2,3-ditert-butyl-5,6-dimethoxypyridine?
The InChIKey is TXYLZEJGHQHHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,3)10-9-11(17-7)13(18-8)16-12(10)15(4,5)6/h9H,1-8H3.
What are the key properties of 2,3-ditert-butyl-5,6-dimethoxypyridine?
2,3-ditert-butyl-5,6-dimethoxypyridine has a molecular weight of 251.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5,6-dimethoxypyridine is sourced from PubChem (CID 155787492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).