ethyl 3,5-dichloropyrazine-2-carboxylate

C7H6Cl2N2O2 — CID 53419466

IUPACethyl 3,5-dichloropyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)nc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)5-6(9)11-4(8)3-10-5/h3H,2H2,1H3
InChIKeyWDQSZLFJRHJQGN-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.96
Rot. Bonds2

About ethyl 3,5-dichloropyrazine-2-carboxylate

ethyl 3,5-dichloropyrazine-2-carboxylate (PubChem CID 53419466) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is ethyl 3,5-dichloropyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dichloropyrazine-2-carboxylate
PubChem CID53419466
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Nameethyl 3,5-dichloropyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)nc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)5-6(9)11-4(8)3-10-5/h3H,2H2,1H3
InChIKeyWDQSZLFJRHJQGN-UHFFFAOYSA-N
XLogP1.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dichloropyrazine-2-carboxylate?
The IUPAC name of ethyl 3,5-dichloropyrazine-2-carboxylate (CID 53419466) is ethyl 3,5-dichloropyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3,5-dichloropyrazine-2-carboxylate?
The canonical SMILES for ethyl 3,5-dichloropyrazine-2-carboxylate is CCOC(=O)c1ncc(Cl)nc1Cl.
What is the InChIKey of ethyl 3,5-dichloropyrazine-2-carboxylate?
The InChIKey is WDQSZLFJRHJQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)5-6(9)11-4(8)3-10-5/h3H,2H2,1H3.
What are the key properties of ethyl 3,5-dichloropyrazine-2-carboxylate?
ethyl 3,5-dichloropyrazine-2-carboxylate has a molecular weight of 221.04 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dichloropyrazine-2-carboxylate is sourced from PubChem (CID 53419466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).