6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid

C12H8F3N3O2 — CID 66456938

IUPAC6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-1-3-8(4-2-7)17-10-6-16-5-9(18-10)11(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyJMVPSWXWQQHFMK-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.94
Rot. Bonds3

About 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid

6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid (PubChem CID 66456938) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
PubChem CID66456938
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-1-3-8(4-2-7)17-10-6-16-5-9(18-10)11(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyJMVPSWXWQQHFMK-UHFFFAOYSA-N
XLogP2.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid (CID 66456938) is 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid is O=C(O)c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The InChIKey is JMVPSWXWQQHFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)7-1-3-8(4-2-7)17-10-6-16-5-9(18-10)11(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).