methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate

C10H13F2N3O3 — CID 107480385

IUPACmethyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(CCO)CC(F)F)n1
InChIInChI=1S/C10H13F2N3O3/c1-18-10(17)7-4-13-5-9(14-7)15(2-3-16)6-8(11)12/h4-5,8,16H,2-3,6H2,1H3
InChIKeyOCOQKQFLUSMHLM-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.33
Rot. Bonds6

About methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate

methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate (PubChem CID 107480385) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate
PubChem CID107480385
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC Namemethyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(CCO)CC(F)F)n1
InChIInChI=1S/C10H13F2N3O3/c1-18-10(17)7-4-13-5-9(14-7)15(2-3-16)6-8(11)12/h4-5,8,16H,2-3,6H2,1H3
InChIKeyOCOQKQFLUSMHLM-UHFFFAOYSA-N
XLogP0.33
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate (CID 107480385) is methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(CCO)CC(F)F)n1.
What is the InChIKey of methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate?
The InChIKey is OCOQKQFLUSMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c1-18-10(17)7-4-13-5-9(14-7)15(2-3-16)6-8(11)12/h4-5,8,16H,2-3,6H2,1H3.
What are the key properties of methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate?
methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate has a molecular weight of 261.23 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 107480385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).