methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate

C12H10ClN3O3 — CID 66457333

IUPACmethyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccc(N)cc2Cl)n1
InChIInChI=1S/C12H10ClN3O3/c1-18-12(17)9-5-15-6-11(16-9)19-10-3-2-7(14)4-8(10)13/h2-6H,14H2,1H3
InChIKeyWHVYNINZBUFTRA-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.29
Rot. Bonds3

About methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate

methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate (PubChem CID 66457333) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
PubChem CID66457333
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Namemethyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccc(N)cc2Cl)n1
InChIInChI=1S/C12H10ClN3O3/c1-18-12(17)9-5-15-6-11(16-9)19-10-3-2-7(14)4-8(10)13/h2-6H,14H2,1H3
InChIKeyWHVYNINZBUFTRA-UHFFFAOYSA-N
XLogP2.29
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
CID 66457109
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111
methyl 6-(4-chloro-2-nitrophenoxy)pyrazine-2-carboxylate
CID 66457481
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
methyl 6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66458482
methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
CID 66458680
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 66457666
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474
methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
CID 114059663

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate (CID 66457333) is methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate is COC(=O)c1cncc(Oc2ccc(N)cc2Cl)n1.
What is the InChIKey of methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate?
The InChIKey is WHVYNINZBUFTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-18-12(17)9-5-15-6-11(16-9)19-10-3-2-7(14)4-8(10)13/h2-6H,14H2,1H3.
What are the key properties of methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate?
methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate has a molecular weight of 279.68 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 66457333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).