3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine

C12H7F3N2O2 — CID 121013147

IUPAC3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESO=[N+]([O-])c1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)9-5-3-8(4-6-9)11-10(17(18)19)2-1-7-16-11/h1-7H
InChIKeyDBSOJOANKFDVOR-UHFFFAOYSA-N
MW268.19 g/mol
LogP3.68
Rot. Bonds2

About 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine

3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 121013147) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID121013147
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESO=[N+]([O-])c1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)9-5-3-8(4-6-9)11-10(17(18)19)2-1-7-16-11/h1-7H
InChIKeyDBSOJOANKFDVOR-UHFFFAOYSA-N
XLogP3.68
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

8-Nitroquinoline
CID 11830
4-(4-Nitrobenzyl)pyridine
CID 14129
2-[(2,4-Dinitrophenyl)methyl]pyridine
CID 70854
7-Methyl-8-nitroquinoline
CID 81981
Pyridine, 2-((4-nitrophenyl)methyl)-
CID 69292
4-(4-Nitrophenyl)pyridine
CID 259219
2-Methyl-3-nitropyridine
CID 329360
2-(3-Nitrophenyl)pyridine
CID 459555
2-(4-Nitrophenyl)pyridine
CID 459556
2-[(E)-2-(4-nitrophenyl)vinyl]pyridine
CID 5376482
1-methyl-2-[(E)-2-(4-nitrophenyl)vinyl]pyridinium
CID 5722076
3-Nitroquinoline
CID 25551

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine (CID 121013147) is 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine is O=[N+]([O-])c1cccnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is DBSOJOANKFDVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-12(14,15)9-5-3-8(4-6-9)11-10(17(18)19)2-1-7-16-11/h1-7H.
What are the key properties of 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine?
3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 268.19 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 121013147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).