ethyl pyrazine-2-carboxylate;dihydrochloride

C7H10Cl2N2O2 — CID 141471889

IUPACethyl pyrazine-2-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cnccn1.Cl.Cl
InChIInChI=1S/C7H8N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h3-5H,2H2,1H3;2*1H
InChIKeyMBXSASPFSXRVMW-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.50
Rot. Bonds2

About ethyl pyrazine-2-carboxylate;dihydrochloride

ethyl pyrazine-2-carboxylate;dihydrochloride (PubChem CID 141471889) has the molecular formula C7H10Cl2N2O2 and a molecular weight of 225.07 g/mol. Its IUPAC name is ethyl pyrazine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl pyrazine-2-carboxylate;dihydrochloride
PubChem CID141471889
Molecular FormulaC7H10Cl2N2O2
Molecular Weight225.07 g/mol
Exact Mass224.01
IUPAC Nameethyl pyrazine-2-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cnccn1.Cl.Cl
InChIInChI=1S/C7H8N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h3-5H,2H2,1H3;2*1H
InChIKeyMBXSASPFSXRVMW-UHFFFAOYSA-N
XLogP1.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
CID 17428240
amino pyrazine-2-carboxylate
CID 67878279
ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7985750
ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
CID 114075140
silyl pyrazine-2-carboxylate
CID 137330489
5-ethoxycarbonylpyrazine-2-carboxylate
CID 86656579
ethyl pyridine-2-carboxylate
CID 17307
propan-2-yl pyrazine-2-carboxylate
CID 3022328
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
ethyl 2-(pyrazine-2-carbonyl)hexanoate
CID 21329208
ethyl 2-methylsulfanyl-4-(pyrazine-2-carbonyl)pyrimidine-5-carboxylate
CID 71224266
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193

Frequently Asked Questions

What is the IUPAC name of ethyl pyrazine-2-carboxylate;dihydrochloride?
The IUPAC name of ethyl pyrazine-2-carboxylate;dihydrochloride (CID 141471889) is ethyl pyrazine-2-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl pyrazine-2-carboxylate;dihydrochloride?
The canonical SMILES for ethyl pyrazine-2-carboxylate;dihydrochloride is CCOC(=O)c1cnccn1.Cl.Cl.
What is the InChIKey of ethyl pyrazine-2-carboxylate;dihydrochloride?
The InChIKey is MBXSASPFSXRVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h3-5H,2H2,1H3;2*1H.
What are the key properties of ethyl pyrazine-2-carboxylate;dihydrochloride?
ethyl pyrazine-2-carboxylate;dihydrochloride has a molecular weight of 225.07 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyrazine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 141471889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).