5-(difluoromethoxy)pyrazine-2-carboxamide

C6H5F2N3O2 — CID 57475669

IUPAC5-(difluoromethoxy)pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(OC(F)F)cn1
InChIInChI=1S/C6H5F2N3O2/c7-6(8)13-4-2-10-3(1-11-4)5(9)12/h1-2,6H,(H2,9,12)
InChIKeyMXRPGTWXBAALNA-UHFFFAOYSA-N
MW189.12 g/mol
LogP0.18
Rot. Bonds3

About 5-(difluoromethoxy)pyrazine-2-carboxamide

5-(difluoromethoxy)pyrazine-2-carboxamide (PubChem CID 57475669) has the molecular formula C6H5F2N3O2 and a molecular weight of 189.12 g/mol. Its IUPAC name is 5-(difluoromethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)pyrazine-2-carboxamide
PubChem CID57475669
Molecular FormulaC6H5F2N3O2
Molecular Weight189.12 g/mol
Exact Mass189.03
IUPAC Name5-(difluoromethoxy)pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(OC(F)F)cn1
InChIInChI=1S/C6H5F2N3O2/c7-6(8)13-4-2-10-3(1-11-4)5(9)12/h1-2,6H,(H2,9,12)
InChIKeyMXRPGTWXBAALNA-UHFFFAOYSA-N
XLogP0.18
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)pyrazine-2-carboxamide?
The IUPAC name of 5-(difluoromethoxy)pyrazine-2-carboxamide (CID 57475669) is 5-(difluoromethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)pyrazine-2-carboxamide is NC(=O)c1cnc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)pyrazine-2-carboxamide?
The InChIKey is MXRPGTWXBAALNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O2/c7-6(8)13-4-2-10-3(1-11-4)5(9)12/h1-2,6H,(H2,9,12).
What are the key properties of 5-(difluoromethoxy)pyrazine-2-carboxamide?
5-(difluoromethoxy)pyrazine-2-carboxamide has a molecular weight of 189.12 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 57475669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).