3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid

C7H3F6N3O2 — CID 58442311

IUPAC3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C7H3F6N3O2/c8-6(9,10)2-3(7(11,12)13)16-4(14)1(15-2)5(17)18/h(H2,14,16)(H,17,18)
InChIKeyDBWBMMNUZQOCJD-UHFFFAOYSA-N
MW275.11 g/mol
LogP1.79
Rot. Bonds1

About 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid

3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid (PubChem CID 58442311) has the molecular formula C7H3F6N3O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid
PubChem CID58442311
Molecular FormulaC7H3F6N3O2
Molecular Weight275.11 g/mol
Exact Mass275.01
IUPAC Name3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C7H3F6N3O2/c8-6(9,10)2-3(7(11,12)13)16-4(14)1(15-2)5(17)18/h(H2,14,16)(H,17,18)
InChIKeyDBWBMMNUZQOCJD-UHFFFAOYSA-N
XLogP1.79
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid (CID 58442311) is 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid is Nc1nc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)O.
What is the InChIKey of 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid?
The InChIKey is DBWBMMNUZQOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6N3O2/c8-6(9,10)2-3(7(11,12)13)16-4(14)1(15-2)5(17)18/h(H2,14,16)(H,17,18).
What are the key properties of 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid?
3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid has a molecular weight of 275.11 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 58442311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).