4-fluoro-3-nitro-5-(trifluoromethyl)pyridine

C6H2F4N2O2 — CID 130927202

IUPAC4-fluoro-3-nitro-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cncc(C(F)(F)F)c1F
InChIInChI=1S/C6H2F4N2O2/c7-5-3(6(8,9)10)1-11-2-4(5)12(13)14/h1-2H
InChIKeyMAXSZINRRVIDDT-UHFFFAOYSA-N
MW210.09 g/mol
LogP2.15
Rot. Bonds1

About 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine

4-fluoro-3-nitro-5-(trifluoromethyl)pyridine (PubChem CID 130927202) has the molecular formula C6H2F4N2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-fluoro-3-nitro-5-(trifluoromethyl)pyridine
PubChem CID130927202
Molecular FormulaC6H2F4N2O2
Molecular Weight210.09 g/mol
Exact Mass210.01
IUPAC Name4-fluoro-3-nitro-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cncc(C(F)(F)F)c1F
InChIInChI=1S/C6H2F4N2O2/c7-5-3(6(8,9)10)1-11-2-4(5)12(13)14/h1-2H
InChIKeyMAXSZINRRVIDDT-UHFFFAOYSA-N
XLogP2.15
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 52.15
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

3-nitro-5-(trifluoromethyl)pyridin-4-amine
CID 118811335
5-nitro-4-(trifluoromethyl)pyridin-3-ol
CID 131052344
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
CID 21091423
1,2,3,4,5-pentafluoro-6-[3-nitro-4-(trifluoromethyl)phenyl]benzene
CID 118812925
4-fluoro-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 130766545
2,3-dimethyl-1-nitro-4-(trifluoromethyl)benzene
CID 119006674
1-fluoro-2-methyl-4-nitro-5-(trifluoromethyl)benzene
CID 134615299
3-fluoro-5-nitropyridine-4-carbonitrile
CID 131169176
3-fluoro-2-nitro-4-(trifluoromethyl)pyridine
CID 131072337
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
4-fluoro-2-nitro-6-(trifluoromethyl)phenol
CID 69400502
4-fluoro-5-nitro-2-(trifluoromethyl)aniline
CID 131316760

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine (CID 130927202) is 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine is O=[N+]([O-])c1cncc(C(F)(F)F)c1F.
What is the InChIKey of 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine?
The InChIKey is MAXSZINRRVIDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4N2O2/c7-5-3(6(8,9)10)1-11-2-4(5)12(13)14/h1-2H.
What are the key properties of 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine?
4-fluoro-3-nitro-5-(trifluoromethyl)pyridine has a molecular weight of 210.09 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 130927202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).