ethyl 3-amino-5-chloropyrazine-2-carboxylate

C7H8ClN3O2 — CID 71627063

IUPACethyl 3-amino-5-chloropyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)nc1N
InChIInChI=1S/C7H8ClN3O2/c1-2-13-7(12)5-6(9)11-4(8)3-10-5/h3H,2H2,1H3,(H2,9,11)
InChIKeyVHCHPNCLERABHA-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.89
Rot. Bonds2

About ethyl 3-amino-5-chloropyrazine-2-carboxylate

ethyl 3-amino-5-chloropyrazine-2-carboxylate (PubChem CID 71627063) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is ethyl 3-amino-5-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-chloropyrazine-2-carboxylate
PubChem CID71627063
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Nameethyl 3-amino-5-chloropyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)nc1N
InChIInChI=1S/C7H8ClN3O2/c1-2-13-7(12)5-6(9)11-4(8)3-10-5/h3H,2H2,1H3,(H2,9,11)
InChIKeyVHCHPNCLERABHA-UHFFFAOYSA-N
XLogP0.89
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-chloropyrazine-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-chloropyrazine-2-carboxylate (CID 71627063) is ethyl 3-amino-5-chloropyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-chloropyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-chloropyrazine-2-carboxylate is CCOC(=O)c1ncc(Cl)nc1N.
What is the InChIKey of ethyl 3-amino-5-chloropyrazine-2-carboxylate?
The InChIKey is VHCHPNCLERABHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-2-13-7(12)5-6(9)11-4(8)3-10-5/h3H,2H2,1H3,(H2,9,11).
What are the key properties of ethyl 3-amino-5-chloropyrazine-2-carboxylate?
ethyl 3-amino-5-chloropyrazine-2-carboxylate has a molecular weight of 201.61 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-chloropyrazine-2-carboxylate is sourced from PubChem (CID 71627063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).