methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate

C8H8F2N2O3 — CID 118435622

IUPACmethyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(OC(F)F)nc1C
InChIInChI=1S/C8H8F2N2O3/c1-4-6(7(13)14-2)11-3-5(12-4)15-8(9)10/h3,8H,1-2H3
InChIKeyQEKVBSWLQNKVHH-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.17
Rot. Bonds3

About methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate

methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate (PubChem CID 118435622) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate
PubChem CID118435622
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Namemethyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(OC(F)F)nc1C
InChIInChI=1S/C8H8F2N2O3/c1-4-6(7(13)14-2)11-3-5(12-4)15-8(9)10/h3,8H,1-2H3
InChIKeyQEKVBSWLQNKVHH-UHFFFAOYSA-N
XLogP1.17
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate
CID 86728150
methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate
CID 138609183
methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
CID 176833508
methyl 3-(difluoromethyl)-5-methyl-4-nitropyridine-2-carboxylate
CID 133099156
methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate
CID 142593622
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102191
methyl 3-(difluoromethyl)-4-iodo-5-methylpyridine-2-carboxylate
CID 130086290
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
CID 18668118
5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
CID 155286933
5-(difluoromethoxy)pyrazine-2-carboxylic acid;methyl 5-(difluoromethoxy)pyrazine-2-carboxylate;methyl 6-oxo-1H-pyrazine-3-carboxylate
CID 158951818

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate?
The IUPAC name of methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate (CID 118435622) is methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate is COC(=O)c1ncc(OC(F)F)nc1C.
What is the InChIKey of methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate?
The InChIKey is QEKVBSWLQNKVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-4-6(7(13)14-2)11-3-5(12-4)15-8(9)10/h3,8H,1-2H3.
What are the key properties of methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate?
methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate has a molecular weight of 218.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate is sourced from PubChem (CID 118435622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).