3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide

C12H6F5N3O — CID 67086190

IUPAC3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(C(F)(F)F)cnc1F
InChIInChI=1S/C12H6F5N3O/c13-6-1-3-7(4-2-6)19-11(21)9-10(14)18-5-8(20-9)12(15,16)17/h1-5H,(H,19,21)
InChIKeyOVRHBQUFTOGUDZ-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.03
Rot. Bonds2

About 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide

3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 67086190) has the molecular formula C12H6F5N3O and a molecular weight of 303.19 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID67086190
Molecular FormulaC12H6F5N3O
Molecular Weight303.19 g/mol
Exact Mass303.04
IUPAC Name3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(C(F)(F)F)cnc1F
InChIInChI=1S/C12H6F5N3O/c13-6-1-3-7(4-2-6)19-11(21)9-10(14)18-5-8(20-9)12(15,16)17/h1-5H,(H,19,21)
InChIKeyOVRHBQUFTOGUDZ-UHFFFAOYSA-N
XLogP3.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 122516055
2-chloro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154372250
4-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 16659768
2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71710195
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82792233
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide (CID 67086190) is 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1nc(C(F)(F)F)cnc1F.
What is the InChIKey of 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is OVRHBQUFTOGUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5N3O/c13-6-1-3-7(4-2-6)19-11(21)9-10(14)18-5-8(20-9)12(15,16)17/h1-5H,(H,19,21).
What are the key properties of 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide?
3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 67086190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).