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

C12H7F3N2O3 — CID 71283944

IUPAC5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)20-11-4-2-1-3-9(11)10-6-5-8(7-16-10)17(18)19/h1-7H
InChIKeyTXUPXDOXJHQYMH-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.56
Rot. Bonds3

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

5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine (PubChem CID 71283944) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
PubChem CID71283944
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)20-11-4-2-1-3-9(11)10-6-5-8(7-16-10)17(18)19/h1-7H
InChIKeyTXUPXDOXJHQYMH-UHFFFAOYSA-N
XLogP3.56
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.56
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

2-chloro-5-nitro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 119022402
5-iodo-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134630200
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 118813597
5-nitro-2-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 171663241
5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134629833
4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]-1-propan-2-ylpyrazole
CID 71286142
2-methoxy-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 71286121
2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione
CID 132602346
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole
CID 137332624
[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134617951
4-nitro-2-(trifluoromethoxy)aniline
CID 56973585

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine (CID 71283944) is 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine is O=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)nc1.
What is the InChIKey of 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is TXUPXDOXJHQYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)20-11-4-2-1-3-9(11)10-6-5-8(7-16-10)17(18)19/h1-7H.
What are the key properties of 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine?
5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 284.19 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 71283944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).