methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate

C8H10ClN3O3 — CID 21418990

IUPACmethyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate
SMILESCNc1nc(OC)c(C(=O)OC)nc1Cl
InChIInChI=1S/C8H10ClN3O3/c1-10-6-5(9)11-4(8(13)15-3)7(12-6)14-2/h1-3H3,(H,10,12)
InChIKeyMLYCTEBHOXJUQB-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.97
Rot. Bonds3

About methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate

methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate (PubChem CID 21418990) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate
PubChem CID21418990
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Namemethyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate
SMILESCNc1nc(OC)c(C(=O)OC)nc1Cl
InChIInChI=1S/C8H10ClN3O3/c1-10-6-5(9)11-4(8(13)15-3)7(12-6)14-2/h1-3H3,(H,10,12)
InChIKeyMLYCTEBHOXJUQB-UHFFFAOYSA-N
XLogP0.97
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate
CID 139469901
methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate
CID 54167356
methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate
CID 170905017
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 149158648
methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate
CID 90403719
methyl 3-amino-6-chloro-5-propan-2-ylpyrazine-2-carboxylate
CID 58333443
methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate
CID 95561624
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
methyl 2,5-dichloro-1,3-oxazole-4-carboxylate
CID 83680359
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate
CID 176833595

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate (CID 21418990) is methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate is CNc1nc(OC)c(C(=O)OC)nc1Cl.
What is the InChIKey of methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate?
The InChIKey is MLYCTEBHOXJUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-10-6-5(9)11-4(8(13)15-3)7(12-6)14-2/h1-3H3,(H,10,12).
What are the key properties of methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate?
methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate has a molecular weight of 231.64 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 21418990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).