methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate

C13H11ClN2O3 — CID 66457109

IUPACmethyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C13H11ClN2O3/c1-8-3-4-11(9(14)5-8)19-12-7-15-6-10(16-12)13(17)18-2/h3-7H,1-2H3
InChIKeyADCIWZNLPXFVCF-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.02
Rot. Bonds3

About methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate

methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate (PubChem CID 66457109) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
PubChem CID66457109
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Namemethyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C13H11ClN2O3/c1-8-3-4-11(9(14)5-8)19-12-7-15-6-10(16-12)13(17)18-2/h3-7H,1-2H3
InChIKeyADCIWZNLPXFVCF-UHFFFAOYSA-N
XLogP3.02
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
CID 66457333
methyl 6-(4-chloro-2-nitrophenoxy)pyrazine-2-carboxylate
CID 66457481
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate
CID 107636127
methyl 6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66458482
methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
CID 66458680
6-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66455721
N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66468621
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 66457666
methyl 6-(3-methyl-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66457692

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate (CID 66457109) is methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate is COC(=O)c1cncc(Oc2ccc(C)cc2Cl)n1.
What is the InChIKey of methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate?
The InChIKey is ADCIWZNLPXFVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-3-4-11(9(14)5-8)19-12-7-15-6-10(16-12)13(17)18-2/h3-7H,1-2H3.
What are the key properties of methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate?
methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate has a molecular weight of 278.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 66457109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).