3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

C12H8F3N3O2 — CID 155817766

IUPAC3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)O
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-3-1-6(2-4-7)8-5-17-10(16)9(18-8)11(19)20/h1-5H,(H2,16,17)(H,19,20)
InChIKeyJHIPWTNELYLYIM-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.44
Rot. Bonds2

About 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 155817766) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID155817766
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)O
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-3-1-6(2-4-7)8-5-17-10(16)9(18-8)11(19)20/h1-5H,(H2,16,17)(H,19,20)
InChIKeyJHIPWTNELYLYIM-UHFFFAOYSA-N
XLogP2.44
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-[4-(trifluoromethyl)phenyl]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

4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677423
3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 10568339
1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone
CID 157296566
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 169133743
3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
CID 59263791
4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
CID 151240746
3-amino-6-bromopyrazine-2-carboxylic acid
CID 18521600
(E)-1-(3-amino-6-phenylpyrazin-2-yl)-3-(dimethylamino)prop-2-en-1-one
CID 58710587
methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate
CID 171524881

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (CID 155817766) is 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is Nc1ncc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is JHIPWTNELYLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)7-3-1-6(2-4-7)8-5-17-10(16)9(18-8)11(19)20/h1-5H,(H2,16,17)(H,19,20).
What are the key properties of 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 155817766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).