2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine

C13H9F3N2O4 — CID 166073857

IUPAC2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9F3N2O4/c1-21-11-4-3-9(6-10(11)18(19)20)22-12-5-2-8(7-17-12)13(14,15)16/h2-7H,1H3
InChIKeyIHJQDCZYUYWUPE-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.81
Rot. Bonds4

About 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine

2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 166073857) has the molecular formula C13H9F3N2O4 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
PubChem CID166073857
Molecular FormulaC13H9F3N2O4
Molecular Weight314.22 g/mol
Exact Mass314.05
IUPAC Name2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9F3N2O4/c1-21-11-4-3-9(6-10(11)18(19)20)22-12-5-2-8(7-17-12)13(14,15)16/h2-7H,1H3
InChIKeyIHJQDCZYUYWUPE-UHFFFAOYSA-N
XLogP3.81
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.81
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-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole
CID 166074042
N-(2-methylprop-2-enyl)-2-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 126694851
5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 82000164
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 24507947
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
1-methoxy-2-nitro-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 166073909
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
CID 39860875

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine (CID 166073857) is 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine is COc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is IHJQDCZYUYWUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O4/c1-21-11-4-3-9(6-10(11)18(19)20)22-12-5-2-8(7-17-12)13(14,15)16/h2-7H,1H3.
What are the key properties of 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine?
2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 314.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 166073857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).