methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate

C12H8ClFN2O3 — CID 114059663

IUPACmethyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C12H8ClFN2O3/c1-18-12(17)9-5-16-11(6-15-9)19-10-3-2-7(14)4-8(10)13/h2-6H,1H3
InChIKeyZFGIXXALICAJHK-UHFFFAOYSA-N
MW282.66 g/mol
LogP2.85
Rot. Bonds3

About methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate

methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate (PubChem CID 114059663) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
PubChem CID114059663
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Namemethyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C12H8ClFN2O3/c1-18-12(17)9-5-16-11(6-15-9)19-10-3-2-7(14)4-8(10)13/h2-6H,1H3
InChIKeyZFGIXXALICAJHK-UHFFFAOYSA-N
XLogP2.85
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
methyl 5-(4-chlorophenoxy)pyrazine-2-carboxylate
CID 114059645
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid
CID 116820278
methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate
CID 146526309
methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
CID 66457109
methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
CID 66457333
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175125142
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 5-[2,3-dichloro-4-[4,4,4-trifluoro-3-hydroxy-3-(5-methyl-6-oxo-1H-pyridin-3-yl)butan-2-yl]phenoxy]pyrazine-2-carboxylate
CID 66699160

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate (CID 114059663) is methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate is COC(=O)c1cnc(Oc2ccc(F)cc2Cl)cn1.
What is the InChIKey of methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate?
The InChIKey is ZFGIXXALICAJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c1-18-12(17)9-5-16-11(6-15-9)19-10-3-2-7(14)4-8(10)13/h2-6H,1H3.
What are the key properties of methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate?
methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate has a molecular weight of 282.66 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 114059663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).