ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate

C12H11N3O2S — CID 114075140

IUPACethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2cnccn2)nc1
InChIInChI=1S/C12H11N3O2S/c1-2-17-12(16)9-3-4-10(15-7-9)18-11-8-13-5-6-14-11/h3-8H,2H2,1H3
InChIKeyQNPYVCDWOXDHHI-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.20
Rot. Bonds4

About ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate

ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate (PubChem CID 114075140) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
PubChem CID114075140
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Nameethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2cnccn2)nc1
InChIInChI=1S/C12H11N3O2S/c1-2-17-12(16)9-3-4-10(15-7-9)18-11-8-13-5-6-14-11/h3-8H,2H2,1H3
InChIKeyQNPYVCDWOXDHHI-UHFFFAOYSA-N
XLogP2.20
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
CID 103613540
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl 2-amino-5-pyrazin-2-ylsulfanylbenzoate
CID 63424120
ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
CID 136919468
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
ethyl 6-(1-benzylimidazol-2-yl)sulfanylpyridine-3-carboxylate
CID 31536166
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 6-(3-methoxy-2-methyl-3-oxopropyl)sulfanylpyridine-3-carboxylate
CID 66116248
ethyl 6-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
CID 32800632

Frequently Asked Questions

What is the IUPAC name of ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate (CID 114075140) is ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate is CCOC(=O)c1ccc(Sc2cnccn2)nc1.
What is the InChIKey of ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate?
The InChIKey is QNPYVCDWOXDHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-2-17-12(16)9-3-4-10(15-7-9)18-11-8-13-5-6-14-11/h3-8H,2H2,1H3.
What are the key properties of ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate?
ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate has a molecular weight of 261.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 114075140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).