5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

C12H7F3N2O2 — CID 146037649

IUPAC5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)8-4-2-1-3-7(8)9-5-17-10(6-16-9)11(18)19/h1-6H,(H,18,19)
InChIKeyCUUISBNOKRDGJH-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.86
Rot. Bonds2

About 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 146037649) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID146037649
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)8-4-2-1-3-7(8)9-5-17-10(6-16-9)11(18)19/h1-6H,(H,18,19)
InChIKeyCUUISBNOKRDGJH-UHFFFAOYSA-N
XLogP2.86
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22030043
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid
CID 21333395
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-[5-[2-(trifluoromethyl)phenyl]pyrazin-2-yl]prop-2-yn-1-one
CID 170672225
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 133089659
[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134629153
4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 105423770
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (CID 146037649) is 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(-c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is CUUISBNOKRDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-12(14,15)8-4-2-1-3-7(8)9-5-17-10(6-16-9)11(18)19/h1-6H,(H,18,19).
What are the key properties of 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 268.19 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 146037649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).