4-(3,4-dimethoxyphenyl)pyridine

C13H13NO2 — CID 612061

IUPAC4-(3,4-dimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccncc2)cc1OC
InChIInChI=1S/C13H13NO2/c1-15-12-4-3-11(9-13(12)16-2)10-5-7-14-8-6-10/h3-9H,1-2H3
InChIKeyVQSAZLNDWODBDE-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.77
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)pyridine

4-(3,4-dimethoxyphenyl)pyridine (PubChem CID 612061) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)pyridine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)pyridine
PubChem CID612061
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-(3,4-dimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccncc2)cc1OC
InChIInChI=1S/C13H13NO2/c1-15-12-4-3-11(9-13(12)16-2)10-5-7-14-8-6-10/h3-9H,1-2H3
InChIKeyVQSAZLNDWODBDE-UHFFFAOYSA-N
XLogP2.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)pyridine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)pyridine (CID 612061) is 4-(3,4-dimethoxyphenyl)pyridine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)pyridine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)pyridine is COc1ccc(-c2ccncc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)pyridine?
The InChIKey is VQSAZLNDWODBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-15-12-4-3-11(9-13(12)16-2)10-5-7-14-8-6-10/h3-9H,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)pyridine?
4-(3,4-dimethoxyphenyl)pyridine has a molecular weight of 215.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)pyridine is sourced from PubChem (CID 612061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).