methyl 5-dimethylphosphorylpyrazine-2-carboxylate

C8H11N2O3P — CID 155822317

IUPACmethyl 5-dimethylphosphorylpyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(P(C)(C)=O)cn1
InChIInChI=1S/C8H11N2O3P/c1-13-8(11)6-4-10-7(5-9-6)14(2,3)12/h4-5H,1-3H3
InChIKeyHWDPCFPLWMHTJR-UHFFFAOYSA-N
MW214.16 g/mol
LogP0.51
Rot. Bonds2

About methyl 5-dimethylphosphorylpyrazine-2-carboxylate

methyl 5-dimethylphosphorylpyrazine-2-carboxylate (PubChem CID 155822317) has the molecular formula C8H11N2O3P and a molecular weight of 214.16 g/mol. Its IUPAC name is methyl 5-dimethylphosphorylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-dimethylphosphorylpyrazine-2-carboxylate
PubChem CID155822317
Molecular FormulaC8H11N2O3P
Molecular Weight214.16 g/mol
Exact Mass214.05
IUPAC Namemethyl 5-dimethylphosphorylpyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(P(C)(C)=O)cn1
InChIInChI=1S/C8H11N2O3P/c1-13-8(11)6-4-10-7(5-9-6)14(2,3)12/h4-5H,1-3H3
InChIKeyHWDPCFPLWMHTJR-UHFFFAOYSA-N
XLogP0.51
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-dimethylphosphorylpyrazine-2-carboxylate?
The IUPAC name of methyl 5-dimethylphosphorylpyrazine-2-carboxylate (CID 155822317) is methyl 5-dimethylphosphorylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-dimethylphosphorylpyrazine-2-carboxylate?
The canonical SMILES for methyl 5-dimethylphosphorylpyrazine-2-carboxylate is COC(=O)c1cnc(P(C)(C)=O)cn1.
What is the InChIKey of methyl 5-dimethylphosphorylpyrazine-2-carboxylate?
The InChIKey is HWDPCFPLWMHTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O3P/c1-13-8(11)6-4-10-7(5-9-6)14(2,3)12/h4-5H,1-3H3.
What are the key properties of methyl 5-dimethylphosphorylpyrazine-2-carboxylate?
methyl 5-dimethylphosphorylpyrazine-2-carboxylate has a molecular weight of 214.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-dimethylphosphorylpyrazine-2-carboxylate is sourced from PubChem (CID 155822317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).