6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid

C18H11F3N2O3 — CID 11674901

IUPAC6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)13-7-2-1-6-12(13)10-4-3-5-11(8-10)15-16(24)22-9-14(23-15)17(25)26/h1-9H,(H,22,24)(H,25,26)
InChIKeyUQWMNXGSUFOLMX-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.82
Rot. Bonds3

About 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid

6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid (PubChem CID 11674901) has the molecular formula C18H11F3N2O3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid
PubChem CID11674901
Molecular FormulaC18H11F3N2O3
Molecular Weight360.29 g/mol
Exact Mass360.07
IUPAC Name6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)13-7-2-1-6-12(13)10-4-3-5-11(8-10)15-16(24)22-9-14(23-15)17(25)26/h1-9H,(H,22,24)(H,25,26)
InChIKeyUQWMNXGSUFOLMX-UHFFFAOYSA-N
XLogP3.82
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11545237
5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one
CID 59842424
6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
CID 143119996
6-[2-Fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11495204
4-(2-Amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11495358
6-[3-[4-Fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11502018
5-Oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11502230
4-Ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11509298
N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
CID 11509897
5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 11516756
6-[3-Fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11517103
4-Cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11523829

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid?
The IUPAC name of 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid (CID 11674901) is 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.
What is the InChIKey of 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid?
The InChIKey is UQWMNXGSUFOLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O3/c19-18(20,21)13-7-2-1-6-12(13)10-4-3-5-11(8-10)15-16(24)22-9-14(23-15)17(25)26/h1-9H,(H,22,24)(H,25,26).
What are the key properties of 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid?
6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid has a molecular weight of 360.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid is sourced from PubChem (CID 11674901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).