ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate

C12H17NO4S — CID 135319653

IUPACethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OCOC)cc1SCC
InChIInChI=1S/C12H17NO4S/c1-4-16-12(14)11-10(18-5-2)6-9(7-13-11)17-8-15-3/h6-7H,4-5,8H2,1-3H3
InChIKeyNMEBQNLXEAEKEB-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.35
Rot. Bonds7

About ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate

ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate (PubChem CID 135319653) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate
PubChem CID135319653
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OCOC)cc1SCC
InChIInChI=1S/C12H17NO4S/c1-4-16-12(14)11-10(18-5-2)6-9(7-13-11)17-8-15-3/h6-7H,4-5,8H2,1-3H3
InChIKeyNMEBQNLXEAEKEB-UHFFFAOYSA-N
XLogP2.35
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-ethoxycarbonyl-5-ethylsulfanylpyridine-3-carboxylic acid
CID 122462154
methyl 5-(1-cyano-2-ethoxy-2-oxoethyl)-3-ethylsulfanylpyridine-2-carboxylate
CID 134466850
ethyl 3-cyano-5-methoxypyridine-2-carboxylate
CID 133097457
ethyl 6-bromo-3-ethylsulfanylquinoline-2-carboxylate
CID 121398046
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
ethyl 2-ethylsulfanyl-4-fluorobenzoate
CID 91875883
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
methyl 3-ethylsulfanyl-5-(1-isocyanocyclopropyl)pyridine-2-carboxylate
CID 170527181
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate (CID 135319653) is ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate is CCOC(=O)c1ncc(OCOC)cc1SCC.
What is the InChIKey of ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate?
The InChIKey is NMEBQNLXEAEKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-16-12(14)11-10(18-5-2)6-9(7-13-11)17-8-15-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate?
ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 135319653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).