2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine

C16H11F3N4O3 — CID 174986076

IUPAC2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine
SMILESO=[N+]([O-])c1ccc(OC2=CC(c3ccncc3)(C(F)(F)F)NC=C2)cn1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)15(11-3-6-20-7-4-11)9-12(5-8-22-15)26-13-1-2-14(21-10-13)23(24)25/h1-10,22H
InChIKeyTZHQLJLPIDQCEI-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.22
Rot. Bonds4

About 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine

2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine (PubChem CID 174986076) has the molecular formula C16H11F3N4O3 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine.

Molecular Properties

Compound Name2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine
PubChem CID174986076
Molecular FormulaC16H11F3N4O3
Molecular Weight364.28 g/mol
Exact Mass364.08
IUPAC Name2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine
SMILESO=[N+]([O-])c1ccc(OC2=CC(c3ccncc3)(C(F)(F)F)NC=C2)cn1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)15(11-3-6-20-7-4-11)9-12(5-8-22-15)26-13-1-2-14(21-10-13)23(24)25/h1-10,22H
InChIKeyTZHQLJLPIDQCEI-UHFFFAOYSA-N
XLogP3.22
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
CID 145045044
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 160610381
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine
CID 174492692
N-methyl-4-[(6-nitro-3-pyridinyl)oxy]benzamide
CID 59686993
5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine
CID 164526083
1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
CID 166064685
methyl 4-fluoro-2-[(6-nitro-3-pyridinyl)oxy]benzoate
CID 67226297
2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
CID 145332594
2-nitro-5-pyrrolidin-3-yloxypyridine
CID 82237488
1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol
CID 142494258

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine?
The IUPAC name of 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine (CID 174986076) is 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine.
What is the SMILES notation for 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine?
The canonical SMILES for 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine is O=[N+]([O-])c1ccc(OC2=CC(c3ccncc3)(C(F)(F)F)NC=C2)cn1.
What is the InChIKey of 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine?
The InChIKey is TZHQLJLPIDQCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3/c17-16(18,19)15(11-3-6-20-7-4-11)9-12(5-8-22-15)26-13-1-2-14(21-10-13)23(24)25/h1-10,22H.
What are the key properties of 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine?
2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine has a molecular weight of 364.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-[[2-pyridin-4-yl-2-(trifluoromethyl)-1H-pyridin-4-yl]oxy]pyridine is sourced from PubChem (CID 174986076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).