2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine

C7H3F5N2O3 — CID 134664818

IUPAC2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1c(OC(F)(F)F)cnc(F)c1CF
InChIInChI=1S/C7H3F5N2O3/c8-1-3-5(14(15)16)4(2-13-6(3)9)17-7(10,11)12/h2H,1H2
InChIKeyHBJNKUNEOZYPKX-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.50
Rot. Bonds3

About 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine

2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine (PubChem CID 134664818) has the molecular formula C7H3F5N2O3 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine
PubChem CID134664818
Molecular FormulaC7H3F5N2O3
Molecular Weight258.10 g/mol
Exact Mass258.01
IUPAC Name2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1c(OC(F)(F)F)cnc(F)c1CF
InChIInChI=1S/C7H3F5N2O3/c8-1-3-5(14(15)16)4(2-13-6(3)9)17-7(10,11)12/h2H,1H2
InChIKeyHBJNKUNEOZYPKX-UHFFFAOYSA-N
XLogP2.50
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)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

4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 118845540
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
2-[2-fluoro-3-(fluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 134659660
4-nitro-5-(trifluoromethoxy)pyridin-3-amine
CID 19034620
2-(bromomethyl)-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134678331
ethyl 2-methyl-4-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134662332
3-iodo-4-nitro-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134681097
ethyl 3-hydroxy-4-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680855
[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085678
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118799511
2-(fluoromethyl)-1-nitro-3-(trifluoromethoxy)benzene
CID 170837030

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine (CID 134664818) is 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine is O=[N+]([O-])c1c(OC(F)(F)F)cnc(F)c1CF.
What is the InChIKey of 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine?
The InChIKey is HBJNKUNEOZYPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O3/c8-1-3-5(14(15)16)4(2-13-6(3)9)17-7(10,11)12/h2H,1H2.
What are the key properties of 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine?
2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine has a molecular weight of 258.10 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134664818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).