3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine

C13H9F3N2O3 — CID 134627087

IUPAC3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2ccccc2C(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C13H9F3N2O3/c1-21-11-7-6-10(17-12(11)18(19)20)8-4-2-3-5-9(8)13(14,15)16/h2-7H,1H3
InChIKeyUPICKRCBMIWDEU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.68
Rot. Bonds3

About 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine

3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 134627087) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID134627087
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2ccccc2C(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C13H9F3N2O3/c1-21-11-7-6-10(17-12(11)18(19)20)8-4-2-3-5-9(8)13(14,15)16/h2-7H,1H3
InChIKeyUPICKRCBMIWDEU-UHFFFAOYSA-N
XLogP3.68
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-Methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2800218
6-Methyl-3-[(4-methylbenzyl)oxy]-2-nitropyridine
CID 2800220
6-Methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine
CID 3920507
3-[(2-Bromophenyl)methoxy]-6-methyl-2-nitropyridine
CID 16329444
6-Methyl-2-nitro-3-[(4-phenylphenyl)methoxy]pyridine
CID 16332535
3-[2-[4-Bromo-2-(trifluoromethyl)phenoxy]ethoxy]-6-methyl-2-nitropyridine
CID 57396981
6-Methyl-3-[(2-methylphenyl)methoxy]-2-nitropyridine
CID 9108965
3-[(4-Bromophenyl)methoxy]-6-methyl-2-nitropyridine
CID 3462706
3-[2-(2,4-Dimethylphenoxy)ethoxy]-6-methyl-2-nitropyridine
CID 44620886
3-[2-(2-Fluoro-4-nitrophenoxy)ethoxy]-6-methyl-2-nitropyridine
CID 57395199
6-Methyl-2-nitro-3-(2-phenoxyethoxy)pyridine
CID 44620888
3-[2-(2,4-Difluorophenoxy)ethoxy]-6-methyl-2-nitropyridine
CID 57391735

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine (CID 134627087) is 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine is COc1ccc(-c2ccccc2C(F)(F)F)nc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is UPICKRCBMIWDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c1-21-11-7-6-10(17-12(11)18(19)20)8-4-2-3-5-9(8)13(14,15)16/h2-7H,1H3.
What are the key properties of 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine?
3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 298.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134627087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).