2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine

C23H25NO2 — CID 71374375

IUPAC2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
SMILESCOc1cc(C)c(-c2cccc(-c3c(C)cc(OC)cc3C)n2)c(C)c1
InChIInChI=1S/C23H25NO2/c1-14-10-18(25-5)11-15(2)22(14)20-8-7-9-21(24-20)23-16(3)12-19(26-6)13-17(23)4/h7-13H,1-6H3
InChIKeyYAPJPGSAVCQIAG-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.67
Rot. Bonds4

About 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine

2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine (PubChem CID 71374375) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
PubChem CID71374375
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
SMILESCOc1cc(C)c(-c2cccc(-c3c(C)cc(OC)cc3C)n2)c(C)c1
InChIInChI=1S/C23H25NO2/c1-14-10-18(25-5)11-15(2)22(14)20-8-7-9-21(24-20)23-16(3)12-19(26-6)13-17(23)4/h7-13H,1-6H3
InChIKeyYAPJPGSAVCQIAG-UHFFFAOYSA-N
XLogP5.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine?
The IUPAC name of 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine (CID 71374375) is 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine.
What is the SMILES notation for 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine?
The canonical SMILES for 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine is COc1cc(C)c(-c2cccc(-c3c(C)cc(OC)cc3C)n2)c(C)c1.
What is the InChIKey of 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine?
The InChIKey is YAPJPGSAVCQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-14-10-18(25-5)11-15(2)22(14)20-8-7-9-21(24-20)23-16(3)12-19(26-6)13-17(23)4/h7-13H,1-6H3.
What are the key properties of 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine?
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine has a molecular weight of 347.46 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine is sourced from PubChem (CID 71374375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).