methyl 3-amino-6-chloropyrazine-2-carboxylate

C6H6ClN3O2 — CID 824637

IUPACmethyl 3-amino-6-chloropyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cnc1N
InChIInChI=1S/C6H6ClN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
InChIKeyJGAJCAJHSHUPGH-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.50
Rot. Bonds1

About methyl 3-amino-6-chloropyrazine-2-carboxylate

methyl 3-amino-6-chloropyrazine-2-carboxylate (PubChem CID 824637) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is methyl 3-amino-6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloropyrazine-2-carboxylate
PubChem CID824637
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Namemethyl 3-amino-6-chloropyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cnc1N
InChIInChI=1S/C6H6ClN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
InChIKeyJGAJCAJHSHUPGH-UHFFFAOYSA-N
XLogP0.50
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloropyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloropyrazine-2-carboxylate (CID 824637) is methyl 3-amino-6-chloropyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloropyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloropyrazine-2-carboxylate is COC(=O)c1nc(Cl)cnc1N.
What is the InChIKey of methyl 3-amino-6-chloropyrazine-2-carboxylate?
The InChIKey is JGAJCAJHSHUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9).
What are the key properties of methyl 3-amino-6-chloropyrazine-2-carboxylate?
methyl 3-amino-6-chloropyrazine-2-carboxylate has a molecular weight of 187.59 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 824637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).