5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

C12H8F3N3O3 — CID 151499726

IUPAC5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESNc1ncc(C(=O)O)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)21-7-3-1-6(2-4-7)9-10(16)17-5-8(18-9)11(19)20/h1-5H,(H2,16,17)(H,19,20)
InChIKeyPQDXKXOZXBAHCE-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.32
Rot. Bonds3

About 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (PubChem CID 151499726) has the molecular formula C12H8F3N3O3 and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
PubChem CID151499726
Molecular FormulaC12H8F3N3O3
Molecular Weight299.21 g/mol
Exact Mass299.05
IUPAC Name5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESNc1ncc(C(=O)O)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)21-7-3-1-6(2-4-7)9-10(16)17-5-8(18-9)11(19)20/h1-5H,(H2,16,17)(H,19,20)
InChIKeyPQDXKXOZXBAHCE-UHFFFAOYSA-N
XLogP2.32
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120
6-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134630822
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089210
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
4-[6-butyl-3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]benzoic acid
CID 138532490
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 68595845

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (CID 151499726) is 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is Nc1ncc(C(=O)O)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is PQDXKXOZXBAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3/c13-12(14,15)21-7-3-1-6(2-4-7)9-10(16)17-5-8(18-9)11(19)20/h1-5H,(H2,16,17)(H,19,20).
What are the key properties of 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 299.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 151499726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).