methyl 6-fluoro-3-nitropyrazine-2-carboxylate

C6H4FN3O4 — CID 22662836

IUPACmethyl 6-fluoro-3-nitropyrazine-2-carboxylate
SMILESCOC(=O)c1nc(F)cnc1[N+](=O)[O-]
InChIInChI=1S/C6H4FN3O4/c1-14-6(11)4-5(10(12)13)8-2-3(7)9-4/h2H,1H3
InChIKeySXSQUFSGDVYIKJ-UHFFFAOYSA-N
MW201.11 g/mol
LogP0.31
Rot. Bonds2

About methyl 6-fluoro-3-nitropyrazine-2-carboxylate

methyl 6-fluoro-3-nitropyrazine-2-carboxylate (PubChem CID 22662836) has the molecular formula C6H4FN3O4 and a molecular weight of 201.11 g/mol. Its IUPAC name is methyl 6-fluoro-3-nitropyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-3-nitropyrazine-2-carboxylate
PubChem CID22662836
Molecular FormulaC6H4FN3O4
Molecular Weight201.11 g/mol
Exact Mass201.02
IUPAC Namemethyl 6-fluoro-3-nitropyrazine-2-carboxylate
SMILESCOC(=O)c1nc(F)cnc1[N+](=O)[O-]
InChIInChI=1S/C6H4FN3O4/c1-14-6(11)4-5(10(12)13)8-2-3(7)9-4/h2H,1H3
InChIKeySXSQUFSGDVYIKJ-UHFFFAOYSA-N
XLogP0.31
TPSA95.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.11
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-iodo-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666780
methyl 1-(2,2-difluoroethyl)-3-nitropyrazole-4-carboxylate
CID 132586331
methyl 4-cyano-5-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134686079
methyl 5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 134673314
methyl 6-amino-2-nitropyridine-3-carboxylate
CID 150527246
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 3-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carboxylate
CID 133104560
methyl 3-(difluoromethyl)-5-methyl-4-nitropyridine-2-carboxylate
CID 133099156
methyl 6-(difluoromethyl)-4-nitropyridine-3-carboxylate
CID 134673227
methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134673946
methyl 2-(difluoromethyl)-3-fluoro-5-nitropyridine-4-carboxylate
CID 133105039

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3-nitropyrazine-2-carboxylate?
The IUPAC name of methyl 6-fluoro-3-nitropyrazine-2-carboxylate (CID 22662836) is methyl 6-fluoro-3-nitropyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-3-nitropyrazine-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-3-nitropyrazine-2-carboxylate is COC(=O)c1nc(F)cnc1[N+](=O)[O-].
What is the InChIKey of methyl 6-fluoro-3-nitropyrazine-2-carboxylate?
The InChIKey is SXSQUFSGDVYIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3O4/c1-14-6(11)4-5(10(12)13)8-2-3(7)9-4/h2H,1H3.
What are the key properties of methyl 6-fluoro-3-nitropyrazine-2-carboxylate?
methyl 6-fluoro-3-nitropyrazine-2-carboxylate has a molecular weight of 201.11 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-3-nitropyrazine-2-carboxylate is sourced from PubChem (CID 22662836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).