2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine

C13H9F3N2O4 — CID 144783794

IUPAC2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine
SMILESO=[N+]([O-])c1cccc(OC(F)(F)F)c1COc1ccccn1
InChIInChI=1S/C13H9F3N2O4/c14-13(15,16)22-11-5-3-4-10(18(19)20)9(11)8-21-12-6-1-2-7-17-12/h1-7H,8H2
InChIKeyCTNFJHJHRBACTR-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.47
Rot. Bonds5

About 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine

2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine (PubChem CID 144783794) has the molecular formula C13H9F3N2O4 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine
PubChem CID144783794
Molecular FormulaC13H9F3N2O4
Molecular Weight314.22 g/mol
Exact Mass314.05
IUPAC Name2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine
SMILESO=[N+]([O-])c1cccc(OC(F)(F)F)c1COc1ccccn1
InChIInChI=1S/C13H9F3N2O4/c14-13(15,16)22-11-5-3-4-10(18(19)20)9(11)8-21-12-6-1-2-7-17-12/h1-7H,8H2
InChIKeyCTNFJHJHRBACTR-UHFFFAOYSA-N
XLogP3.47
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine?
The IUPAC name of 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine (CID 144783794) is 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine.
What is the SMILES notation for 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine?
The canonical SMILES for 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine is O=[N+]([O-])c1cccc(OC(F)(F)F)c1COc1ccccn1.
What is the InChIKey of 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine?
The InChIKey is CTNFJHJHRBACTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O4/c14-13(15,16)22-11-5-3-4-10(18(19)20)9(11)8-21-12-6-1-2-7-17-12/h1-7H,8H2.
What are the key properties of 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine?
2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine has a molecular weight of 314.22 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine is sourced from PubChem (CID 144783794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).