5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid

C12H7F4N3O2 — CID 107372340

IUPAC5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H7F4N3O2/c13-8-2-1-6(3-7(8)12(14,15)16)19-10-5-17-9(4-18-10)11(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKeyCZTMAJGNUFKJBH-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.08
Rot. Bonds3

About 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid

5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid (PubChem CID 107372340) has the molecular formula C12H7F4N3O2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
PubChem CID107372340
Molecular FormulaC12H7F4N3O2
Molecular Weight301.20 g/mol
Exact Mass301.05
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H7F4N3O2/c13-8-2-1-6(3-7(8)12(14,15)16)19-10-5-17-9(4-18-10)11(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKeyCZTMAJGNUFKJBH-UHFFFAOYSA-N
XLogP3.08
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372402
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid
CID 107791186
5-(3-bromo-4-iodoanilino)pyrazine-2-carboxylic acid
CID 114262227
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
3-[4-fluoro-3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54765559
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747023
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
1-[4-[5-(3,4-difluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279160
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid (CID 107372340) is 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(Nc2ccc(F)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The InChIKey is CZTMAJGNUFKJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N3O2/c13-8-2-1-6(3-7(8)12(14,15)16)19-10-5-17-9(4-18-10)11(20)21/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid has a molecular weight of 301.20 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).