6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)

C8H6BrF6N3O4 — CID 118207102

IUPAC6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNc1cncc(Br)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H4BrN3.2C2HF3O2/c5-3-1-7-2-4(6)8-3;2*3-2(4,5)1(6)7/h1-2H,(H2,6,8);2*(H,6,7)
InChIKeyLDSRXTGTGLTPGF-UHFFFAOYSA-N
MW402.05 g/mol
LogP2.09
Rot. Bonds

About 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)

6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118207102) has the molecular formula C8H6BrF6N3O4 and a molecular weight of 402.05 g/mol. Its IUPAC name is 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118207102
Molecular FormulaC8H6BrF6N3O4
Molecular Weight402.05 g/mol
Exact Mass400.94
IUPAC Name6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNc1cncc(Br)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H4BrN3.2C2HF3O2/c5-3-1-7-2-4(6)8-3;2*3-2(4,5)1(6)7/h1-2H,(H2,6,8);2*(H,6,7)
InChIKeyLDSRXTGTGLTPGF-UHFFFAOYSA-N
XLogP2.09
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.05
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 118207102) is 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) is Nc1cncc(Br)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LDSRXTGTGLTPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3.2C2HF3O2/c5-3-1-7-2-4(6)8-3;2*3-2(4,5)1(6)7/h1-2H,(H2,6,8);2*(H,6,7).
What are the key properties of 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid)?
6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 402.05 g/mol, XLogP of 2.09, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyrazin-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118207102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).