5-ethoxycarbonylpyrazine-2-carboxylate

C8H7N2O4- — CID 86656579

IUPAC5-ethoxycarbonylpyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(C(=O)[O-])cn1
InChIInChI=1S/C8H8N2O4/c1-2-14-8(13)6-4-9-5(3-10-6)7(11)12/h3-4H,2H2,1H3,(H,11,12)/p-1
InChIKeyMEUJRSFWOVYXNW-UHFFFAOYSA-M
MW195.15 g/mol
LogP-0.98
Rot. Bonds3

About 5-ethoxycarbonylpyrazine-2-carboxylate

5-ethoxycarbonylpyrazine-2-carboxylate (PubChem CID 86656579) has the molecular formula C8H7N2O4- and a molecular weight of 195.15 g/mol. Its IUPAC name is 5-ethoxycarbonylpyrazine-2-carboxylate.

Molecular Properties

Compound Name5-ethoxycarbonylpyrazine-2-carboxylate
PubChem CID86656579
Molecular FormulaC8H7N2O4-
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name5-ethoxycarbonylpyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(C(=O)[O-])cn1
InChIInChI=1S/C8H8N2O4/c1-2-14-8(13)6-4-9-5(3-10-6)7(11)12/h3-4H,2H2,1H3,(H,11,12)/p-1
InChIKeyMEUJRSFWOVYXNW-UHFFFAOYSA-M
XLogP-0.98
TPSA92.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-propan-2-ylpyrazine-2-carboxylate
CID 59617996
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl quinoxaline-2-carboxylate
CID 582701
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 5-methylsulfanylpyridine-2-carboxylate
CID 58540699
ethyl quinoxaline-2-carboxylate;1H-pyrrole
CID 175129436
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl pyridine-2-carboxylate
CID 17307

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonylpyrazine-2-carboxylate?
The IUPAC name of 5-ethoxycarbonylpyrazine-2-carboxylate (CID 86656579) is 5-ethoxycarbonylpyrazine-2-carboxylate.
What is the SMILES notation for 5-ethoxycarbonylpyrazine-2-carboxylate?
The canonical SMILES for 5-ethoxycarbonylpyrazine-2-carboxylate is CCOC(=O)c1cnc(C(=O)[O-])cn1.
What is the InChIKey of 5-ethoxycarbonylpyrazine-2-carboxylate?
The InChIKey is MEUJRSFWOVYXNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N2O4/c1-2-14-8(13)6-4-9-5(3-10-6)7(11)12/h3-4H,2H2,1H3,(H,11,12)/p-1.
What are the key properties of 5-ethoxycarbonylpyrazine-2-carboxylate?
5-ethoxycarbonylpyrazine-2-carboxylate has a molecular weight of 195.15 g/mol, XLogP of -0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonylpyrazine-2-carboxylate is sourced from PubChem (CID 86656579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).