2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine

C12H7F3N2O4 — CID 166056986

IUPAC2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C12H7F3N2O4/c13-12(14,15)21-9-3-1-8(2-4-9)20-10-5-6-11(16-7-10)17(18)19/h1-7H
InChIKeyYLRXHUSRYVLKHI-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.68
Rot. Bonds4

About 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine

2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine (PubChem CID 166056986) has the molecular formula C12H7F3N2O4 and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
PubChem CID166056986
Molecular FormulaC12H7F3N2O4
Molecular Weight300.19 g/mol
Exact Mass300.04
IUPAC Name2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C12H7F3N2O4/c13-12(14,15)21-9-3-1-8(2-4-9)20-10-5-6-11(16-7-10)17(18)19/h1-7H
InChIKeyYLRXHUSRYVLKHI-UHFFFAOYSA-N
XLogP3.68
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.68
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

5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
CID 145045044
N-methyl-4-[(6-nitro-3-pyridinyl)oxy]benzamide
CID 59686993
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine
CID 134627217
4-nitro-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 59103037
5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine
CID 174492692
methyl 4-fluoro-2-[(6-nitro-3-pyridinyl)oxy]benzoate
CID 67226297
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 160610381
2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine
CID 119013443
2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine
CID 174986076
4-iodo-2-nitro-1-[4-(trifluoromethoxy)phenoxy]benzene
CID 121004215
1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
CID 166064685

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine?
The IUPAC name of 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine (CID 166056986) is 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine is O=[N+]([O-])c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine?
The InChIKey is YLRXHUSRYVLKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O4/c13-12(14,15)21-9-3-1-8(2-4-9)20-10-5-6-11(16-7-10)17(18)19/h1-7H.
What are the key properties of 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine?
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine has a molecular weight of 300.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 166056986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).