methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate

C8H8F2N2O2 — CID 176833508

IUPACmethyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C)cnc1C(F)F
InChIInChI=1S/C8H8F2N2O2/c1-4-3-11-5(7(9)10)6(12-4)8(13)14-2/h3,7H,1-2H3
InChIKeyPFDJAMSEEOVQKO-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.51
Rot. Bonds2

About methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate

methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate (PubChem CID 176833508) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
PubChem CID176833508
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Namemethyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C)cnc1C(F)F
InChIInChI=1S/C8H8F2N2O2/c1-4-3-11-5(7(9)10)6(12-4)8(13)14-2/h3,7H,1-2H3
InChIKeyPFDJAMSEEOVQKO-UHFFFAOYSA-N
XLogP1.51
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
CID 18668118
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090590
methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
CID 130086271
methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
CID 130086264
methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
CID 130094865
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 133098702
methyl 3-(difluoromethyl)-4-iodo-5-methylpyridine-2-carboxylate
CID 130086290
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
CID 130080291
methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
CID 130080286
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477

Frequently Asked Questions

What is the IUPAC name of methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate (CID 176833508) is methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate is COC(=O)c1nc(C)cnc1C(F)F.
What is the InChIKey of methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate?
The InChIKey is PFDJAMSEEOVQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-4-3-11-5(7(9)10)6(12-4)8(13)14-2/h3,7H,1-2H3.
What are the key properties of methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate?
methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate has a molecular weight of 202.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate is sourced from PubChem (CID 176833508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).