2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine

C11H13N3O2 — CID 175944759

IUPAC2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine
SMILESCOc1ccc(-c2cncn2C)c(OC)n1
InChIInChI=1S/C11H13N3O2/c1-14-7-12-6-9(14)8-4-5-10(15-2)13-11(8)16-3/h4-7H,1-3H3
InChIKeyHMSYJNZWQPIEID-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.50
Rot. Bonds3

About 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine

2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine (PubChem CID 175944759) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine
PubChem CID175944759
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine
SMILESCOc1ccc(-c2cncn2C)c(OC)n1
InChIInChI=1S/C11H13N3O2/c1-14-7-12-6-9(14)8-4-5-10(15-2)13-11(8)16-3/h4-7H,1-3H3
InChIKeyHMSYJNZWQPIEID-UHFFFAOYSA-N
XLogP1.50
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine?
The IUPAC name of 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine (CID 175944759) is 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine.
What is the SMILES notation for 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine?
The canonical SMILES for 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine is COc1ccc(-c2cncn2C)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine?
The InChIKey is HMSYJNZWQPIEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14-7-12-6-9(14)8-4-5-10(15-2)13-11(8)16-3/h4-7H,1-3H3.
What are the key properties of 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine?
2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine has a molecular weight of 219.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine is sourced from PubChem (CID 175944759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).