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

C13H10F3N3O2 — CID 107372402

IUPAC5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
SMILESCc1ccc(Nc2cnc(C(=O)O)cn2)cc1C(F)(F)F
InChIInChI=1S/C13H10F3N3O2/c1-7-2-3-8(4-9(7)13(14,15)16)19-11-6-17-10(5-18-11)12(20)21/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyFMABSGYYUFQNPW-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.25
Rot. Bonds3

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

5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid (PubChem CID 107372402) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
PubChem CID107372402
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
SMILESCc1ccc(Nc2cnc(C(=O)O)cn2)cc1C(F)(F)F
InChIInChI=1S/C13H10F3N3O2/c1-7-2-3-8(4-9(7)13(14,15)16)19-11-6-17-10(5-18-11)12(20)21/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyFMABSGYYUFQNPW-UHFFFAOYSA-N
XLogP3.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372340
5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid
CID 107791186
5-(3-bromo-4-iodoanilino)pyrazine-2-carboxylic acid
CID 114262227
4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244152
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
5-(4-propylanilino)pyrazine-2-carboxylic acid
CID 107372323
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 107372372

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid (CID 107372402) is 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid is Cc1ccc(Nc2cnc(C(=O)O)cn2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
The InChIKey is FMABSGYYUFQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-7-2-3-8(4-9(7)13(14,15)16)19-11-6-17-10(5-18-11)12(20)21/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid?
5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid has a molecular weight of 297.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).