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

C7H2F6N2O3 — CID 134659642

IUPAC5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1ncc(C(F)F)c(OC(F)(F)F)c1F
InChIInChI=1S/C7H2F6N2O3/c8-3-4(18-7(11,12)13)2(5(9)10)1-14-6(3)15(16)17/h1,5H
InChIKeyZMFDWPQVAFEDKS-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.97
Rot. Bonds3

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

5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine (PubChem CID 134659642) has the molecular formula C7H2F6N2O3 and a molecular weight of 276.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
PubChem CID134659642
Molecular FormulaC7H2F6N2O3
Molecular Weight276.09 g/mol
Exact Mass276.00
IUPAC Name5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1ncc(C(F)F)c(OC(F)(F)F)c1F
InChIInChI=1S/C7H2F6N2O3/c8-3-4(18-7(11,12)13)2(5(9)10)1-14-6(3)15(16)17/h1,5H
InChIKeyZMFDWPQVAFEDKS-UHFFFAOYSA-N
XLogP2.97
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.97
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

4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
2-[5-fluoro-6-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134659503
ethyl 2-[5-(difluoromethyl)-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664146
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134671187
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134682696
5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 134669706
2-[5-(difluoromethyl)-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682963
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
ethyl 2-[4-fluoro-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664857
5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine (CID 134659642) is 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine is O=[N+]([O-])c1ncc(C(F)F)c(OC(F)(F)F)c1F.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine?
The InChIKey is ZMFDWPQVAFEDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F6N2O3/c8-3-4(18-7(11,12)13)2(5(9)10)1-14-6(3)15(16)17/h1,5H.
What are the key properties of 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine?
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine has a molecular weight of 276.09 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134659642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).