2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine

C15H8F3N5O3 — CID 175080198

IUPAC2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine
SMILESO=[N+]([O-])c1ccc(Oc2nccnc2-c2cnccn2)cc1C(F)(F)F
InChIInChI=1S/C15H8F3N5O3/c16-15(17,18)10-7-9(1-2-12(10)23(24)25)26-14-13(21-5-6-22-14)11-8-19-3-4-20-11/h1-8H
InChIKeyWJSXUDFFHDFTRD-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.65
Rot. Bonds4

About 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine

2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine (PubChem CID 175080198) has the molecular formula C15H8F3N5O3 and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine.

Molecular Properties

Compound Name2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine
PubChem CID175080198
Molecular FormulaC15H8F3N5O3
Molecular Weight363.26 g/mol
Exact Mass363.06
IUPAC Name2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine
SMILESO=[N+]([O-])c1ccc(Oc2nccnc2-c2cnccn2)cc1C(F)(F)F
InChIInChI=1S/C15H8F3N5O3/c16-15(17,18)10-7-9(1-2-12(10)23(24)25)26-14-13(21-5-6-22-14)11-8-19-3-4-20-11/h1-8H
InChIKeyWJSXUDFFHDFTRD-UHFFFAOYSA-N
XLogP3.65
TPSA103.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline
CID 175082309
2-[4-nitro-3-(trifluoromethyl)phenoxy]acetyl chloride
CID 14040428
4-[chloro(difluoro)methoxy]-1-nitro-2-(trifluoromethyl)benzene
CID 71669511
4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene
CID 141135704
2-methyl-1-[4-nitro-3-(trifluoromethyl)phenoxy]propan-2-amine
CID 64536993
4-(cyclopropylmethoxy)-1-nitro-2-(trifluoromethyl)benzene
CID 22501934
3-[4-nitro-3-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
CID 7019364
2-[bis(4-fluorophenyl)-[4-nitro-3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 18457077
1-nitro-4-[4-nitro-3-(2,2,2-trifluoroethoxy)phenoxy]-2-(2,2,2-trifluoroethoxy)benzene
CID 88829100
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
3-[4-nitro-3-(trifluoromethyl)phenoxy]propane-1,2-diol
CID 69454112
ethyl 3-[4-nitro-3-(trifluoromethyl)phenoxy]-1-propan-2-ylpyrazole-4-carboxylate
CID 139934984

Frequently Asked Questions

What is the IUPAC name of 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine?
The IUPAC name of 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine (CID 175080198) is 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine.
What is the SMILES notation for 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine?
The canonical SMILES for 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine is O=[N+]([O-])c1ccc(Oc2nccnc2-c2cnccn2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine?
The InChIKey is WJSXUDFFHDFTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O3/c16-15(17,18)10-7-9(1-2-12(10)23(24)25)26-14-13(21-5-6-22-14)11-8-19-3-4-20-11/h1-8H.
What are the key properties of 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine?
2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine has a molecular weight of 363.26 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-nitro-3-(trifluoromethyl)phenoxy]-3-pyrazin-2-ylpyrazine is sourced from PubChem (CID 175080198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).