4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid

C19H13F3N2O4 — CID 11696778

IUPAC4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
SMILESCn1cc(C(=O)O)nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)c1=O
InChIInChI=1S/C19H13F3N2O4/c1-24-10-14(18(26)27)23-16(17(24)25)12-6-4-5-11(9-12)13-7-2-3-8-15(13)28-19(20,21)22/h2-10H,1H3,(H,26,27)
InChIKeyOVEUXTBVUTZXJV-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.71
Rot. Bonds4

About 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid

4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid (PubChem CID 11696778) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
PubChem CID11696778
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC Name4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
SMILESCn1cc(C(=O)O)nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)c1=O
InChIInChI=1S/C19H13F3N2O4/c1-24-10-14(18(26)27)23-16(17(24)25)12-6-4-5-11(9-12)13-7-2-3-8-15(13)28-19(20,21)22/h2-10H,1H3,(H,26,27)
InChIKeyOVEUXTBVUTZXJV-UHFFFAOYSA-N
XLogP3.71
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11518188
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
CID 11302890
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
6-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11719762
1-methyl-5-[2-(trifluoromethoxy)phenyl]indole-3-carboxylic acid
CID 172654697
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid
CID 11360434
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089211
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11690315

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid (CID 11696778) is 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid is Cn1cc(C(=O)O)nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)c1=O.
What is the InChIKey of 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid?
The InChIKey is OVEUXTBVUTZXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c1-24-10-14(18(26)27)23-16(17(24)25)12-6-4-5-11(9-12)13-7-2-3-8-15(13)28-19(20,21)22/h2-10H,1H3,(H,26,27).
What are the key properties of 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid?
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid has a molecular weight of 390.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 11696778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).