5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide

C8H9F2N3O2 — CID 90318436

IUPAC5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide
SMILESCc1nc(OCC(F)F)cnc1C(N)=O
InChIInChI=1S/C8H9F2N3O2/c1-4-7(8(11)14)12-2-6(13-4)15-3-5(9)10/h2,5H,3H2,1H3,(H2,11,14)
InChIKeyCUZLZKSBROWRPQ-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.53
Rot. Bonds4

About 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide

5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide (PubChem CID 90318436) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide
PubChem CID90318436
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide
SMILESCc1nc(OCC(F)F)cnc1C(N)=O
InChIInChI=1S/C8H9F2N3O2/c1-4-7(8(11)14)12-2-6(13-4)15-3-5(9)10/h2,5H,3H2,1H3,(H2,11,14)
InChIKeyCUZLZKSBROWRPQ-UHFFFAOYSA-N
XLogP0.53
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide (CID 90318436) is 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide is Cc1nc(OCC(F)F)cnc1C(N)=O.
What is the InChIKey of 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide?
The InChIKey is CUZLZKSBROWRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-4-7(8(11)14)12-2-6(13-4)15-3-5(9)10/h2,5H,3H2,1H3,(H2,11,14).
What are the key properties of 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide?
5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide has a molecular weight of 217.18 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 90318436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).