ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate

C11H13NO3 — CID 15812390

IUPACethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(O)c1ccccn1
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)8(2)10(13)9-6-4-5-7-12-9/h4-7,10,13H,2-3H2,1H3
InChIKeyOXGFZHBSHKPYOS-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.23
Rot. Bonds4

About ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate

ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate (PubChem CID 15812390) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
PubChem CID15812390
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(O)c1ccccn1
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)8(2)10(13)9-6-4-5-7-12-9/h4-7,10,13H,2-3H2,1H3
InChIKeyOXGFZHBSHKPYOS-UHFFFAOYSA-N
XLogP1.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]prop-2-enoate
CID 103258390
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
ethyl 2-[(2-bromophenyl)-hydroxymethyl]prop-2-enoate
CID 43186313
ethyl 2-[(2-fluorophenyl)-hydroxymethyl]prop-2-enoate
CID 11127932
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 10750378
ethyl 2-[(R)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 135054134
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
ethyl 2-[hydroxy-(5-methylfuran-2-yl)methyl]prop-2-enoate
CID 43186479
ethyl (4R)-4-hydroxy-2-methylidene-4-phenylbutanoate
CID 101053661
ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate
CID 122372494
ethyl 2-methylidene-3-phenylbutanoate
CID 10081635

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate (CID 15812390) is ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate is C=C(C(=O)OCC)C(O)c1ccccn1.
What is the InChIKey of ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate?
The InChIKey is OXGFZHBSHKPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-15-11(14)8(2)10(13)9-6-4-5-7-12-9/h4-7,10,13H,2-3H2,1H3.
What are the key properties of ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate?
ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate has a molecular weight of 207.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate is sourced from PubChem (CID 15812390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).