2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate

C10H15NO3 — CID 151943150

IUPAC2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate
SMILESCOCC(=O)OCCN1C=CC=CC1
InChIInChI=1S/C10H15NO3/c1-13-9-10(12)14-8-7-11-5-3-2-4-6-11/h2-5H,6-9H2,1H3
InChIKeyTVCFCZWRNAUXIU-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.56
Rot. Bonds5

About 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate

2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate (PubChem CID 151943150) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate.

Molecular Properties

Compound Name2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate
PubChem CID151943150
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate
SMILESCOCC(=O)OCCN1C=CC=CC1
InChIInChI=1S/C10H15NO3/c1-13-9-10(12)14-8-7-11-5-3-2-4-6-11/h2-5H,6-9H2,1H3
InChIKeyTVCFCZWRNAUXIU-UHFFFAOYSA-N
XLogP0.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate?
The IUPAC name of 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate (CID 151943150) is 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate.
What is the SMILES notation for 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate?
The canonical SMILES for 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate is COCC(=O)OCCN1C=CC=CC1.
What is the InChIKey of 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate?
The InChIKey is TVCFCZWRNAUXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-13-9-10(12)14-8-7-11-5-3-2-4-6-11/h2-5H,6-9H2,1H3.
What are the key properties of 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate?
2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate has a molecular weight of 197.23 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyridin-1-yl)ethyl 2-methoxyacetate is sourced from PubChem (CID 151943150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).