5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine

C7H2BrF5N2O2 — CID 134685339

IUPAC5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1c(Br)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C7H2BrF5N2O2/c8-2-1-14-5(7(11,12)13)3(6(9)10)4(2)15(16)17/h1,6H
InChIKeyBJXFZRKJYQWENL-UHFFFAOYSA-N
MW321.00 g/mol
LogP3.71
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine

5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine (PubChem CID 134685339) has the molecular formula C7H2BrF5N2O2 and a molecular weight of 321.00 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
PubChem CID134685339
Molecular FormulaC7H2BrF5N2O2
Molecular Weight321.00 g/mol
Exact Mass319.92
IUPAC Name5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1c(Br)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C7H2BrF5N2O2/c8-2-1-14-5(7(11,12)13)3(6(9)10)4(2)15(16)17/h1,6H
InChIKeyBJXFZRKJYQWENL-UHFFFAOYSA-N
XLogP3.71
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.00
LogP ≤ 53.71
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

5-chloro-4-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134669618
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
5-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylic acid
CID 130069949
[5-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069878
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine
CID 134675322
5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
CID 133102771
5-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069132
2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
CID 119002402
2-chloro-3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)pyridine
CID 119004595
2-chloro-4-(difluoromethyl)-3-nitro-5-(trifluoromethyl)pyridine
CID 119009197
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine (CID 134685339) is 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine is O=[N+]([O-])c1c(Br)cnc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The InChIKey is BJXFZRKJYQWENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF5N2O2/c8-2-1-14-5(7(11,12)13)3(6(9)10)4(2)15(16)17/h1,6H.
What are the key properties of 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine?
5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine has a molecular weight of 321.00 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134685339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).