methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate

C9H7N3O3 — CID 135984745

IUPACmethyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate
SMILESCOC(=O)c1ncc2nccnc2c1O
InChIInChI=1S/C9H7N3O3/c1-15-9(14)7-8(13)6-5(4-12-7)10-2-3-11-6/h2-4,13H,1H3
InChIKeyLLPHRFAXNGSAGO-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.52
Rot. Bonds1

About methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate

methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate (PubChem CID 135984745) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate
PubChem CID135984745
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Namemethyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate
SMILESCOC(=O)c1ncc2nccnc2c1O
InChIInChI=1S/C9H7N3O3/c1-15-9(14)7-8(13)6-5(4-12-7)10-2-3-11-6/h2-4,13H,1H3
InChIKeyLLPHRFAXNGSAGO-UHFFFAOYSA-N
XLogP0.52
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate?
The IUPAC name of methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate (CID 135984745) is methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate?
The canonical SMILES for methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate is COC(=O)c1ncc2nccnc2c1O.
What is the InChIKey of methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate?
The InChIKey is LLPHRFAXNGSAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-15-9(14)7-8(13)6-5(4-12-7)10-2-3-11-6/h2-4,13H,1H3.
What are the key properties of methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate?
methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate is sourced from PubChem (CID 135984745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).