3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol

C12H7F3N2O4 — CID 106750050

IUPAC3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1Oc1cccc(O)c1
InChIInChI=1S/C12H7F3N2O4/c13-12(14,15)11-5-10(9(6-16-11)17(19)20)21-8-3-1-2-7(18)4-8/h1-6,18H
InChIKeyZKABNVAIGKQEGK-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.51
Rot. Bonds3

About 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol

3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol (PubChem CID 106750050) has the molecular formula C12H7F3N2O4 and a molecular weight of 300.19 g/mol. Its IUPAC name is 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol
PubChem CID106750050
Molecular FormulaC12H7F3N2O4
Molecular Weight300.19 g/mol
Exact Mass300.04
IUPAC Name3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1Oc1cccc(O)c1
InChIInChI=1S/C12H7F3N2O4/c13-12(14,15)11-5-10(9(6-16-11)17(19)20)21-8-3-1-2-7(18)4-8/h1-6,18H
InChIKeyZKABNVAIGKQEGK-UHFFFAOYSA-N
XLogP3.51
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.51
H-Bond Donors ≤ 51
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

3-(5-amino-4-methyl-2-nitrophenoxy)phenol
CID 118873681
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-amine
CID 106750124
methyl 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]acetate
CID 126645382
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
5-nitro-2,4-diphenoxypyridine
CID 139217922
3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)oxy]phenol
CID 60870483
2-chloro-5-nitro-4-phenoxypyridine
CID 91620332
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
3-(4-nitro-3-propoxyphenoxy)phenol
CID 63670518
5-(3-hydroxyphenoxy)-2-nitrobenzonitrile
CID 115500594
3-(4-nitro-3-propan-2-yloxyphenoxy)phenol
CID 83003295
5-iodo-4-nitro-2-(trifluoromethyl)pyridine
CID 130782981

Frequently Asked Questions

What is the IUPAC name of 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol?
The IUPAC name of 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol (CID 106750050) is 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol.
What is the SMILES notation for 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol?
The canonical SMILES for 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol is O=[N+]([O-])c1cnc(C(F)(F)F)cc1Oc1cccc(O)c1.
What is the InChIKey of 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol?
The InChIKey is ZKABNVAIGKQEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O4/c13-12(14,15)11-5-10(9(6-16-11)17(19)20)21-8-3-1-2-7(18)4-8/h1-6,18H.
What are the key properties of 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol?
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol has a molecular weight of 300.19 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol is sourced from PubChem (CID 106750050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).