ethyl selenopheno[2,3-b]pyridine-2-carboxylate

C10H9NO2Se — CID 611014

IUPACethyl selenopheno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cccnc2[se]1
InChIInChI=1S/C10H9NO2Se/c1-2-13-10(12)8-6-7-4-3-5-11-9(7)14-8/h3-6H,2H2,1H3
InChIKeyAVTFDQBYLSWKIS-UHFFFAOYSA-N
MW254.15 g/mol
LogP1.47
Rot. Bonds2

About ethyl selenopheno[2,3-b]pyridine-2-carboxylate

ethyl selenopheno[2,3-b]pyridine-2-carboxylate (PubChem CID 611014) has the molecular formula C10H9NO2Se and a molecular weight of 254.15 g/mol. Its IUPAC name is ethyl selenopheno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl selenopheno[2,3-b]pyridine-2-carboxylate
PubChem CID611014
Molecular FormulaC10H9NO2Se
Molecular Weight254.15 g/mol
Exact Mass254.98
IUPAC Nameethyl selenopheno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cccnc2[se]1
InChIInChI=1S/C10H9NO2Se/c1-2-13-10(12)8-6-7-4-3-5-11-9(7)14-8/h3-6H,2H2,1H3
InChIKeyAVTFDQBYLSWKIS-UHFFFAOYSA-N
XLogP1.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

selenopheno[2,3-b]pyridine-2-carboxylic acid
CID 614893
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl pyridine-2-carboxylate
CID 17307
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577

Frequently Asked Questions

What is the IUPAC name of ethyl selenopheno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl selenopheno[2,3-b]pyridine-2-carboxylate (CID 611014) is ethyl selenopheno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl selenopheno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl selenopheno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2cccnc2[se]1.
What is the InChIKey of ethyl selenopheno[2,3-b]pyridine-2-carboxylate?
The InChIKey is AVTFDQBYLSWKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2Se/c1-2-13-10(12)8-6-7-4-3-5-11-9(7)14-8/h3-6H,2H2,1H3.
What are the key properties of ethyl selenopheno[2,3-b]pyridine-2-carboxylate?
ethyl selenopheno[2,3-b]pyridine-2-carboxylate has a molecular weight of 254.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl selenopheno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 611014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).