methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate

C11H15NO3 — CID 150017667

IUPACmethyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(OC)nc1
InChIInChI=1S/C11H15NO3/c1-11(2,10(13)15-4)8-5-6-9(14-3)12-7-8/h5-7H,1-4H3
InChIKeyDEPGUOIIDLKTDH-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.54
Rot. Bonds3

About methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate

methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate (PubChem CID 150017667) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
PubChem CID150017667
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(OC)nc1
InChIInChI=1S/C11H15NO3/c1-11(2,10(13)15-4)8-5-6-9(14-3)12-7-8/h5-7H,1-4H3
InChIKeyDEPGUOIIDLKTDH-UHFFFAOYSA-N
XLogP1.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate (CID 150017667) is methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(OC)nc1.
What is the InChIKey of methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate?
The InChIKey is DEPGUOIIDLKTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,10(13)15-4)8-5-6-9(14-3)12-7-8/h5-7H,1-4H3.
What are the key properties of methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate?
methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate has a molecular weight of 209.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate is sourced from PubChem (CID 150017667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).