5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

C7HF7N2O3 — CID 134680784

IUPAC5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1nc(OC(F)(F)F)c(F)cc1C(F)(F)F
InChIInChI=1S/C7HF7N2O3/c8-3-1-2(6(9,10)11)4(16(17)18)15-5(3)19-7(12,13)14/h1H
InChIKeyRWKAHLQAMWZRBD-UHFFFAOYSA-N
MW294.08 g/mol
LogP3.05
Rot. Bonds2

About 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134680784) has the molecular formula C7HF7N2O3 and a molecular weight of 294.08 g/mol. Its IUPAC name is 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID134680784
Molecular FormulaC7HF7N2O3
Molecular Weight294.08 g/mol
Exact Mass293.99
IUPAC Name5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1nc(OC(F)(F)F)c(F)cc1C(F)(F)F
InChIInChI=1S/C7HF7N2O3/c8-3-1-2(6(9,10)11)4(16(17)18)15-5(3)19-7(12,13)14/h1H
InChIKeyRWKAHLQAMWZRBD-UHFFFAOYSA-N
XLogP3.05
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.08
LogP ≤ 53.05
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'}

Analyze 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 134670731
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
CID 133102745
ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134682536
[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134677932

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 134680784) is 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is O=[N+]([O-])c1nc(OC(F)(F)F)c(F)cc1C(F)(F)F.
What is the InChIKey of 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is RWKAHLQAMWZRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF7N2O3/c8-3-1-2(6(9,10)11)4(16(17)18)15-5(3)19-7(12,13)14/h1H.
What are the key properties of 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 294.08 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134680784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).