methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate

C12H10ClN3O2 — CID 91452201

IUPACmethyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-18-12(17)11-10(15-4-5-16-11)8-6-7(14)2-3-9(8)13/h2-6H,14H2,1H3
InChIKeyJYGNSGJAKGAPKZ-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.17
Rot. Bonds2

About methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate

methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate (PubChem CID 91452201) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate
PubChem CID91452201
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Namemethyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-18-12(17)11-10(15-4-5-16-11)8-6-7(14)2-3-9(8)13/h2-6H,14H2,1H3
InChIKeyJYGNSGJAKGAPKZ-UHFFFAOYSA-N
XLogP2.17
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate (CID 91452201) is methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate is COC(=O)c1nccnc1-c1cc(N)ccc1Cl.
What is the InChIKey of methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate?
The InChIKey is JYGNSGJAKGAPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-18-12(17)11-10(15-4-5-16-11)8-6-7(14)2-3-9(8)13/h2-6H,14H2,1H3.
What are the key properties of methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate?
methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate has a molecular weight of 263.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 91452201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).