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

C7H2BrF5N2O2 — CID 134675322

IUPAC5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ncc(Br)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H2BrF5N2O2/c8-2-1-14-6(15(16)17)4(7(11,12)13)3(2)5(9)10/h1,5H
InChIKeyHUQWSNWPCNPZMG-UHFFFAOYSA-N
MW321.00 g/mol
LogP3.71
Rot. Bonds2

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

5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine (PubChem CID 134675322) has the molecular formula C7H2BrF5N2O2 and a molecular weight of 321.00 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine
PubChem CID134675322
Molecular FormulaC7H2BrF5N2O2
Molecular Weight321.00 g/mol
Exact Mass319.92
IUPAC Name5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ncc(Br)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H2BrF5N2O2/c8-2-1-14-6(15(16)17)4(7(11,12)13)3(2)5(9)10/h1,5H
InChIKeyHUQWSNWPCNPZMG-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-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182
5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134685339
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
2-chloro-4-(difluoromethyl)-3-nitro-5-(trifluoromethyl)pyridine
CID 119009197
2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
CID 134671424
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine (CID 134675322) is 5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine is O=[N+]([O-])c1ncc(Br)c(C(F)F)c1C(F)(F)F.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine?
The InChIKey is HUQWSNWPCNPZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF5N2O2/c8-2-1-14-6(15(16)17)4(7(11,12)13)3(2)5(9)10/h1,5H.
What are the key properties of 5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine?
5-bromo-4-(difluoromethyl)-2-nitro-3-(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-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134675322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).