methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate

C13H10Cl2N2O3 — CID 155153755

IUPACmethyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl2N2O3/c1-19-13(18)11-6-16-5-9(17-11)7-20-12-3-2-8(14)4-10(12)15/h2-6H,7H2,1H3
InChIKeyDAGPPKBHOWTHDZ-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.15
Rot. Bonds4

About methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate

methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate (PubChem CID 155153755) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate
PubChem CID155153755
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Namemethyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl2N2O3/c1-19-13(18)11-6-16-5-9(17-11)7-20-12-3-2-8(14)4-10(12)15/h2-6H,7H2,1H3
InChIKeyDAGPPKBHOWTHDZ-UHFFFAOYSA-N
XLogP3.15
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-Dichlorophenyl) 5-methylpyrazine-2-carboxylate
CID 2448619
N-(3-{[(2,4-dichlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498608
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498570
[4-[2-(2-Chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 35800442
(4-Chlorophenyl) pyrazine-2-carboxylate
CID 85705134
2-(4-Ethoxyphenoxy)ethyl 5-methylpyrazine-2-carboxylate
CID 16256517
Phenyl pyrazine-2-carboxylate
CID 69469384
(4-Amino-2-chlorophenyl) 5-methyl-6-(trifluoromethyl)pyrazine-2-carboxylate
CID 67810427
5-(2-Fluoro-phenoxy)-pyrazine-2-carboxylic acid methyl ester
CID 71238257
Methyl 5-(4-fluorophenoxy)pyrazine-2-carboxylate
CID 114059648
Methyl 5-(4-chloro-2-fluorophenoxy)pyrazine-2-carboxylate
CID 146526453
(2-Chloro-4-fluorophenyl) pyrazine-2-carboxylate
CID 154672749

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate (CID 155153755) is methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate is COC(=O)c1cncc(COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate?
The InChIKey is DAGPPKBHOWTHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-19-13(18)11-6-16-5-9(17-11)7-20-12-3-2-8(14)4-10(12)15/h2-6H,7H2,1H3.
What are the key properties of methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate?
methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate has a molecular weight of 313.14 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,4-dichlorophenoxy)methyl]pyrazine-2-carboxylate is sourced from PubChem (CID 155153755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).