formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C8H8F3N3O4 — CID 67468129

IUPACformic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(OCC(F)(F)F)n1.O=CO
InChIInChI=1S/C7H6F3N3O2.CH2O2/c8-7(9,10)3-15-5-2-12-1-4(13-5)6(11)14;2-1-3/h1-2H,3H2,(H2,11,14);1H,(H,2,3)
InChIKeyRGBJPLBVIYQNSM-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.22
Rot. Bonds3

About formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 67468129) has the molecular formula C8H8F3N3O4 and a molecular weight of 267.16 g/mol. Its IUPAC name is formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID67468129
Molecular FormulaC8H8F3N3O4
Molecular Weight267.16 g/mol
Exact Mass267.05
IUPAC Nameformic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(OCC(F)(F)F)n1.O=CO
InChIInChI=1S/C7H6F3N3O2.CH2O2/c8-7(9,10)3-15-5-2-12-1-4(13-5)6(11)14;2-1-3/h1-2H,3H2,(H2,11,14);1H,(H,2,3)
InChIKeyRGBJPLBVIYQNSM-UHFFFAOYSA-N
XLogP0.22
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3,3,3-Trifluoropropoxy)pyrazine-2-carboxylic acid
CID 25116529
5-(Difluoromethoxy)pyrazine-2-carboxamide
CID 57475669
5-(Fluoromethoxy)-2-pyrazinecarboxamide
CID 57475670
5-(2,2,2-Trifluoroethoxy)pyrazine-2-carboxaldehyde
CID 59455303
6-(2,2,2-Trifluoroethoxy)pyrazine-2-carboxamide
CID 67468130
5-(4,4,4-Trifluorobutoxy)pyrazine-2-carboxylic acid
CID 82792336
5-(2-Fluoroethoxy)pyrazine-2-carboxamide
CID 87411044
N-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 89532914
5-(2,2-Difluoroethoxy)-3-methylpyrazine-2-carboxamide
CID 90318436
3-Methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 90375941
5-(2,2-Difluoropropoxy)pyrazine-2-carboxylic acid
CID 117739271
5-(2,2,2-Trifluoroethoxy)pyrazine-2-carboxamide
CID 117873304

Frequently Asked Questions

What is the IUPAC name of formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 67468129) is formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is NC(=O)c1cncc(OCC(F)(F)F)n1.O=CO.
What is the InChIKey of formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is RGBJPLBVIYQNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2.CH2O2/c8-7(9,10)3-15-5-2-12-1-4(13-5)6(11)14;2-1-3/h1-2H,3H2,(H2,11,14);1H,(H,2,3).
What are the key properties of formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 267.16 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 67468129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).