methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate

C9H11NO3 — CID 131095817

IUPACmethyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(O)cnc1C
InChIInChI=1S/C9H11NO3/c1-6-7(4-9(12)13-2)3-8(11)5-10-6/h3,5,11H,4H2,1-2H3
InChIKeyIXTPSVUFRCHNKG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.81
Rot. Bonds2

About methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate

methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate (PubChem CID 131095817) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate
PubChem CID131095817
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(O)cnc1C
InChIInChI=1S/C9H11NO3/c1-6-7(4-9(12)13-2)3-8(11)5-10-6/h3,5,11H,4H2,1-2H3
InChIKeyIXTPSVUFRCHNKG-UHFFFAOYSA-N
XLogP0.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate (CID 131095817) is methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate is COC(=O)Cc1cc(O)cnc1C.
What is the InChIKey of methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate?
The InChIKey is IXTPSVUFRCHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-7(4-9(12)13-2)3-8(11)5-10-6/h3,5,11H,4H2,1-2H3.
What are the key properties of methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate?
methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 131095817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).