ethyl 2-chloroselanylpyridine-3-carboxylate

C8H8ClNO2Se — CID 145320288

IUPACethyl 2-chloroselanylpyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1[Se]Cl
InChIInChI=1S/C8H8ClNO2Se/c1-2-12-8(11)6-4-3-5-10-7(6)13-9/h3-5H,2H2,1H3
InChIKeyNTZJDCQLXNBXFE-UHFFFAOYSA-N
MW264.57 g/mol
LogP0.74
Rot. Bonds3

About ethyl 2-chloroselanylpyridine-3-carboxylate

ethyl 2-chloroselanylpyridine-3-carboxylate (PubChem CID 145320288) has the molecular formula C8H8ClNO2Se and a molecular weight of 264.57 g/mol. Its IUPAC name is ethyl 2-chloroselanylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloroselanylpyridine-3-carboxylate
PubChem CID145320288
Molecular FormulaC8H8ClNO2Se
Molecular Weight264.57 g/mol
Exact Mass264.94
IUPAC Nameethyl 2-chloroselanylpyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1[Se]Cl
InChIInChI=1S/C8H8ClNO2Se/c1-2-12-8(11)6-4-3-5-10-7(6)13-9/h3-5H,2H2,1H3
InChIKeyNTZJDCQLXNBXFE-UHFFFAOYSA-N
XLogP0.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.57
LogP ≤ 50.74
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

ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317
ethyl 2-phenylpyridine-3-carboxylate
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ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
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2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
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ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
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CID 107849492
ethyl 2-(3-aminopropyl)pyridine-3-carboxylate
CID 70281941
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloroselanylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-chloroselanylpyridine-3-carboxylate (CID 145320288) is ethyl 2-chloroselanylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloroselanylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-chloroselanylpyridine-3-carboxylate is CCOC(=O)c1cccnc1[Se]Cl.
What is the InChIKey of ethyl 2-chloroselanylpyridine-3-carboxylate?
The InChIKey is NTZJDCQLXNBXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2Se/c1-2-12-8(11)6-4-3-5-10-7(6)13-9/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-chloroselanylpyridine-3-carboxylate?
ethyl 2-chloroselanylpyridine-3-carboxylate has a molecular weight of 264.57 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloroselanylpyridine-3-carboxylate is sourced from PubChem (CID 145320288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).