ethyl 2-(3-hydroxy-2-pyridinyl)acetate

C9H11NO3 — CID 13384341

IUPACethyl 2-(3-hydroxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1O
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)6-7-8(11)4-3-5-10-7/h3-5,11H,2,6H2,1H3
InChIKeyXIHFFJKZKNVQMS-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.89
Rot. Bonds3

About ethyl 2-(3-hydroxy-2-pyridinyl)acetate

ethyl 2-(3-hydroxy-2-pyridinyl)acetate (PubChem CID 13384341) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-2-pyridinyl)acetate
PubChem CID13384341
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 2-(3-hydroxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1O
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)6-7-8(11)4-3-5-10-7/h3-5,11H,2,6H2,1H3
InChIKeyXIHFFJKZKNVQMS-UHFFFAOYSA-N
XLogP0.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-hydroxy-2-pyridinyl)acetate (CID 13384341) is ethyl 2-(3-hydroxy-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-hydroxy-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-hydroxy-2-pyridinyl)acetate is CCOC(=O)Cc1ncccc1O.
What is the InChIKey of ethyl 2-(3-hydroxy-2-pyridinyl)acetate?
The InChIKey is XIHFFJKZKNVQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9(12)6-7-8(11)4-3-5-10-7/h3-5,11H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-hydroxy-2-pyridinyl)acetate?
ethyl 2-(3-hydroxy-2-pyridinyl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-2-pyridinyl)acetate is sourced from PubChem (CID 13384341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).