2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine

C19H13F3N2O3 — CID 71528362

IUPAC2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C19H13F3N2O3/c1-27-16-8-4-13(5-9-16)18-11-14(19(20,21)22)10-17(23-18)12-2-6-15(7-3-12)24(25)26/h2-11H,1H3
InChIKeyNKNWVPVELDTKHL-UHFFFAOYSA-N
MW374.32 g/mol
LogP5.35
Rot. Bonds4

About 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine

2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine (PubChem CID 71528362) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine
PubChem CID71528362
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C19H13F3N2O3/c1-27-16-8-4-13(5-9-16)18-11-14(19(20,21)22)10-17(23-18)12-2-6-15(7-3-12)24(25)26/h2-11H,1H3
InChIKeyNKNWVPVELDTKHL-UHFFFAOYSA-N
XLogP5.35
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 55.35
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine (CID 71528362) is 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine?
The InChIKey is NKNWVPVELDTKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-27-16-8-4-13(5-9-16)18-11-14(19(20,21)22)10-17(23-18)12-2-6-15(7-3-12)24(25)26/h2-11H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine?
2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine has a molecular weight of 374.32 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 71528362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).