2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine

C11H6F3N3O3 — CID 31535269

IUPAC2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine
SMILESO=[N+]([O-])c1cccc(Oc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H6F3N3O3/c12-11(13,14)9-4-5-15-10(16-9)20-8-3-1-2-7(6-8)17(18)19/h1-6H
InChIKeyFHRGYKDVGKJABU-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.20
Rot. Bonds3

About 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine

2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine (PubChem CID 31535269) has the molecular formula C11H6F3N3O3 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine
PubChem CID31535269
Molecular FormulaC11H6F3N3O3
Molecular Weight285.18 g/mol
Exact Mass285.04
IUPAC Name2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine
SMILESO=[N+]([O-])c1cccc(Oc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H6F3N3O3/c12-11(13,14)9-4-5-15-10(16-9)20-8-3-1-2-7(6-8)17(18)19/h1-6H
InChIKeyFHRGYKDVGKJABU-UHFFFAOYSA-N
XLogP3.20
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine
CID 51106333
[2-(3-nitrophenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134330355
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
2-chloro-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoic acid
CID 106502835
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzaldehyde
CID 122475629
4-fluoro-6-(3-nitrophenoxy)pyrimidine
CID 115416148
2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
CID 103202016
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947
2-(3-fluorophenoxy)-5-nitropyrimidine
CID 91903137
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine (CID 31535269) is 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine is O=[N+]([O-])c1cccc(Oc2nccc(C(F)(F)F)n2)c1.
What is the InChIKey of 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine?
The InChIKey is FHRGYKDVGKJABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O3/c12-11(13,14)9-4-5-15-10(16-9)20-8-3-1-2-7(6-8)17(18)19/h1-6H.
What are the key properties of 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine?
2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine has a molecular weight of 285.18 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 31535269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).