(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate

C11H15NO3 — CID 5067289

IUPAC(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate
SMILESCOc1c(C)cnc(COC(C)=O)c1C
InChIInChI=1S/C11H15NO3/c1-7-5-12-10(6-15-9(3)13)8(2)11(7)14-4/h5H,6H2,1-4H3
InChIKeyOKIMSBLHXKXTTE-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.77
Rot. Bonds3

About (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate

(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate (PubChem CID 5067289) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate
PubChem CID5067289
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate
SMILESCOc1c(C)cnc(COC(C)=O)c1C
InChIInChI=1S/C11H15NO3/c1-7-5-12-10(6-15-9(3)13)8(2)11(7)14-4/h5H,6H2,1-4H3
InChIKeyOKIMSBLHXKXTTE-UHFFFAOYSA-N
XLogP1.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate?
The IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate (CID 5067289) is (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate.
What is the SMILES notation for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate?
The canonical SMILES for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate is COc1c(C)cnc(COC(C)=O)c1C.
What is the InChIKey of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate?
The InChIKey is OKIMSBLHXKXTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-12-10(6-15-9(3)13)8(2)11(7)14-4/h5H,6H2,1-4H3.
What are the key properties of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate?
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate has a molecular weight of 209.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl acetate is sourced from PubChem (CID 5067289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).