trifluoromethyl pyrazine-2-carboxylate

C6H3F3N2O2 — CID 142296960

IUPACtrifluoromethyl pyrazine-2-carboxylate
SMILESO=C(OC(F)(F)F)c1cnccn1
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)13-5(12)4-3-10-1-2-11-4/h1-3H
InChIKeyZQMOSCFUWSVNCP-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.15
Rot. Bonds1

About trifluoromethyl pyrazine-2-carboxylate

trifluoromethyl pyrazine-2-carboxylate (PubChem CID 142296960) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is trifluoromethyl pyrazine-2-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl pyrazine-2-carboxylate
PubChem CID142296960
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Nametrifluoromethyl pyrazine-2-carboxylate
SMILESO=C(OC(F)(F)F)c1cnccn1
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)13-5(12)4-3-10-1-2-11-4/h1-3H
InChIKeyZQMOSCFUWSVNCP-UHFFFAOYSA-N
XLogP1.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trifluoromethyl pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

amino pyrazine-2-carboxylate
CID 67878279
silyl pyrazine-2-carboxylate
CID 137330489
[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate
CID 91727571
propan-2-yl pyrazine-2-carboxylate
CID 3022328
[4-[4-(pyrazine-2-carbonyloxy)phenyl]sulfanylphenyl] pyrazine-2-carboxylate
CID 18077188
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
pyrazine-2-carbothioic S-acid
CID 87249006
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
oxetan-3-yl pyrazine-2-carboxylate
CID 130693172
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl pyrazine-2-carboxylate?
The IUPAC name of trifluoromethyl pyrazine-2-carboxylate (CID 142296960) is trifluoromethyl pyrazine-2-carboxylate.
What is the SMILES notation for trifluoromethyl pyrazine-2-carboxylate?
The canonical SMILES for trifluoromethyl pyrazine-2-carboxylate is O=C(OC(F)(F)F)c1cnccn1.
What is the InChIKey of trifluoromethyl pyrazine-2-carboxylate?
The InChIKey is ZQMOSCFUWSVNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-6(8,9)13-5(12)4-3-10-1-2-11-4/h1-3H.
What are the key properties of trifluoromethyl pyrazine-2-carboxylate?
trifluoromethyl pyrazine-2-carboxylate has a molecular weight of 192.10 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl pyrazine-2-carboxylate is sourced from PubChem (CID 142296960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).