3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide

C12H8F3N3O2 — CID 579033

IUPAC3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)20-11-9(10(16)19)17-4-5-18-11/h1-6H,(H2,16,19)
InChIKeyYKVJKGYLTDMKBR-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.39
Rot. Bonds3

About 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide

3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide (PubChem CID 579033) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide
PubChem CID579033
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)20-11-9(10(16)19)17-4-5-18-11/h1-6H,(H2,16,19)
InChIKeyYKVJKGYLTDMKBR-UHFFFAOYSA-N
XLogP2.39
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide (CID 579033) is 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide is NC(=O)c1nccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide?
The InChIKey is YKVJKGYLTDMKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)20-11-9(10(16)19)17-4-5-18-11/h1-6H,(H2,16,19).
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide?
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 579033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).