ethyl 2-ethenyl-4-iodopyridine-3-carboxylate

C10H10INO2 — CID 121321231

IUPACethyl 2-ethenyl-4-iodopyridine-3-carboxylate
SMILESC=Cc1nccc(I)c1C(=O)OCC
InChIInChI=1S/C10H10INO2/c1-3-8-9(10(13)14-4-2)7(11)5-6-12-8/h3,5-6H,1,4H2,2H3
InChIKeyWPLMVUUIAZNHTF-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.51
Rot. Bonds3

About ethyl 2-ethenyl-4-iodopyridine-3-carboxylate

ethyl 2-ethenyl-4-iodopyridine-3-carboxylate (PubChem CID 121321231) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is ethyl 2-ethenyl-4-iodopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethenyl-4-iodopyridine-3-carboxylate
PubChem CID121321231
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Nameethyl 2-ethenyl-4-iodopyridine-3-carboxylate
SMILESC=Cc1nccc(I)c1C(=O)OCC
InChIInChI=1S/C10H10INO2/c1-3-8-9(10(13)14-4-2)7(11)5-6-12-8/h3,5-6H,1,4H2,2H3
InChIKeyWPLMVUUIAZNHTF-UHFFFAOYSA-N
XLogP2.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-chloro-2-formylpyridine-3-carboxylate
CID 86683157
ethyl 2-amino-6-iodo-3-methylbenzoate
CID 102741909
ethyl 2-[1-(2-fluorophenyl)ethoxy]-4-iodopyridine-3-carboxylate
CID 90166868
ethyl 2-(2,2-difluoro-2-pyridin-2-ylethoxy)-4-iodopyridine-3-carboxylate
CID 90167195
diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619
butyl 2-ethenyl-3-hydroxypyridine-4-carboxylate
CID 122551633
ethyl 3-iodopyridazine-4-carboxylate
CID 15882193
ethyl 2-bromo-4-methoxypyridine-3-carboxylate
CID 90167118
ethyl 2-iodo-6-propanoylbenzoate
CID 134641127
ethyl 2-(2,2-difluorobutoxy)-4-ethenylpyridine-3-carboxylate;ethyl 2-(2,2-difluorobutoxy)-4-formylpyridine-3-carboxylate
CID 158253204
ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441068

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenyl-4-iodopyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethenyl-4-iodopyridine-3-carboxylate (CID 121321231) is ethyl 2-ethenyl-4-iodopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethenyl-4-iodopyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethenyl-4-iodopyridine-3-carboxylate is C=Cc1nccc(I)c1C(=O)OCC.
What is the InChIKey of ethyl 2-ethenyl-4-iodopyridine-3-carboxylate?
The InChIKey is WPLMVUUIAZNHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-3-8-9(10(13)14-4-2)7(11)5-6-12-8/h3,5-6H,1,4H2,2H3.
What are the key properties of ethyl 2-ethenyl-4-iodopyridine-3-carboxylate?
ethyl 2-ethenyl-4-iodopyridine-3-carboxylate has a molecular weight of 303.10 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenyl-4-iodopyridine-3-carboxylate is sourced from PubChem (CID 121321231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).