3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate

C12H6F3N2O3- — CID 6930221

IUPAC3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
SMILESO=C([O-])c1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)20-10-9(11(18)19)16-4-5-17-10/h1-6H,(H,18,19)/p-1
InChIKeyQCVLWOOQXHZABF-UHFFFAOYSA-M
MW283.19 g/mol
LogP1.65
Rot. Bonds3

About 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate

3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate (PubChem CID 6930221) has the molecular formula C12H6F3N2O3- and a molecular weight of 283.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
PubChem CID6930221
Molecular FormulaC12H6F3N2O3-
Molecular Weight283.19 g/mol
Exact Mass283.03
IUPAC Name3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
SMILESO=C([O-])c1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)20-10-9(11(18)19)16-4-5-17-10/h1-6H,(H,18,19)/p-1
InChIKeyQCVLWOOQXHZABF-UHFFFAOYSA-M
XLogP1.65
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135983232
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 6989867
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44759446
N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12849353
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12894406
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate (CID 6930221) is 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate is O=C([O-])c1nccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate?
The InChIKey is QCVLWOOQXHZABF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)20-10-9(11(18)19)16-4-5-17-10/h1-6H,(H,18,19)/p-1.
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate?
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate has a molecular weight of 283.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 6930221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).