2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine

C19H13F3N2O4 — CID 71286121

IUPAC2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
SMILESCOc1cc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2OC(F)(F)F)ccn1
InChIInChI=1S/C19H13F3N2O4/c1-27-18-10-12(8-9-23-18)16-11-13(24(25)26)6-7-14(16)15-4-2-3-5-17(15)28-19(20,21)22/h2-11H,1H3
InChIKeyAYUWZVOXPAQKES-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.23
Rot. Bonds5

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

2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine (PubChem CID 71286121) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
PubChem CID71286121
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC Name2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
SMILESCOc1cc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2OC(F)(F)F)ccn1
InChIInChI=1S/C19H13F3N2O4/c1-27-18-10-12(8-9-23-18)16-11-13(24(25)26)6-7-14(16)15-4-2-3-5-17(15)28-19(20,21)22/h2-11H,1H3
InChIKeyAYUWZVOXPAQKES-UHFFFAOYSA-N
XLogP5.23
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.23
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

4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]-1-propan-2-ylpyrazole
CID 71286142
5-nitro-2-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 171663241
2-chloro-5-nitro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 119022402
5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 71283944
5-(2-methoxy-4-pyridinyl)-2-methyl-6-(5-nitro-2-phenoxyphenyl)pyridazin-3-one
CID 140623706
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
4-nitro-1-(trifluoromethoxy)-2-[3-(trifluoromethyl)phenyl]benzene
CID 134630334
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
2-methoxy-5-nitro-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 134620874
methyl 3-nitro-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134634430
6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134631300
5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134629833

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine?
The IUPAC name of 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine (CID 71286121) is 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine?
The canonical SMILES for 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine is COc1cc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2OC(F)(F)F)ccn1.
What is the InChIKey of 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine?
The InChIKey is AYUWZVOXPAQKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c1-27-18-10-12(8-9-23-18)16-11-13(24(25)26)6-7-14(16)15-4-2-3-5-17(15)28-19(20,21)22/h2-11H,1H3.
What are the key properties of 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine?
2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine has a molecular weight of 390.32 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine is sourced from PubChem (CID 71286121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).