Methyl 3-methoxy-5-methylpyrazine-2-carboxylate

HCID 21702987

Notes Reactions

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Basic information

CAS: 219474-99-4
Standard SMILES: COC(=O)c1ncc(C)nc1OC
InChIKey: NHEFXUXNYWOEIL-UHFFFAOYSA-N
Molecular formula: C8H10N2O3
Average molar mass: 182.18 g/mol
Monoisotopic mass: 182.06914219

Names & identifiers

Preferred name: Methyl 3-methoxy-5-methylpyrazine-2-carboxylate
IUPAC: methyl 3-methoxy-5-methylpyrazine-2-carboxylate

Names & synonyms

methyl 3-methoxy-5-methylpyrazine-2-carboxylate219474-99-4SCHEMBL7541379NHEFXUXNYWOEIL-UHFFFAOYSA-NDTXSID101241236methyl 3-methoxy-5-methylpyrazine-carboxylateMethyl 3-methoxy-5-methyl-2-pyrazinecarboxylate

Database identifiers

CAS: 219474-99-4
PubChem CID: 21702987
DTXSID: DTXSID101241236

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 61.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 186

Related reactions

7 records

New reaction record

HRID 1108448As productuspto-grants-2000_05

HRID 1108449As reactantuspto-grants-2000_05

HRID 1127044As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1596736As productuspto-grants-2001_09

HRID 1596737As reactantuspto-grants-2001_09

HRID 1978140As productuspto-grants-2001_05

HRID 1978141As reactantuspto-grants-2001_05

Compound notes

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