ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate

C12H15NO4 — CID 169480678

IUPACethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OC)nc1OC
InChIInChI=1S/C12H15NO4/c1-4-17-11(14)8-6-9-5-7-10(15-2)13-12(9)16-3/h5-8H,4H2,1-3H3
InChIKeyXASPIPLVEGWENF-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.68
Rot. Bonds5

About ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate

ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate (PubChem CID 169480678) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate
PubChem CID169480678
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OC)nc1OC
InChIInChI=1S/C12H15NO4/c1-4-17-11(14)8-6-9-5-7-10(15-2)13-12(9)16-3/h5-8H,4H2,1-3H3
InChIKeyXASPIPLVEGWENF-UHFFFAOYSA-N
XLogP1.68
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
CID 164908029
ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate
CID 66736918
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate
CID 86684677
ethyl (E)-3-(4-methoxy-2-sulfanylphenyl)prop-2-enoate
CID 12955068
ethyl (E)-3-(6-bromo-2-fluoro-3-pyridinyl)prop-2-enoate
CID 142420383
ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
CID 82580013
ethyl (E)-3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 28689337
ethyl 3-(4-hydroxy-2,3-dimethoxyphenyl)prop-2-enoate
CID 174504187
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxyphenyl]acetic acid
CID 102170407
ethyl (E)-3-[2-(4,6-dimethoxypyrimidin-2-yl)sulfanylphenyl]prop-2-enoate
CID 67894006

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate (CID 169480678) is ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(OC)nc1OC.
What is the InChIKey of ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate?
The InChIKey is XASPIPLVEGWENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-17-11(14)8-6-9-5-7-10(15-2)13-12(9)16-3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate?
ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate has a molecular weight of 237.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169480678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).