3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine

C7H2BrF5N2O2 — CID 134663698

IUPAC3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cc(C(F)F)nc(C(F)(F)F)c1Br
InChIInChI=1S/C7H2BrF5N2O2/c8-4-3(15(16)17)1-2(6(9)10)14-5(4)7(11,12)13/h1,6H
InChIKeyRDSMCPWZAZYQJZ-UHFFFAOYSA-N
MW321.00 g/mol
LogP3.71
Rot. Bonds2

About 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine

3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine (PubChem CID 134663698) has the molecular formula C7H2BrF5N2O2 and a molecular weight of 321.00 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
PubChem CID134663698
Molecular FormulaC7H2BrF5N2O2
Molecular Weight321.00 g/mol
Exact Mass319.92
IUPAC Name3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cc(C(F)F)nc(C(F)(F)F)c1Br
InChIInChI=1S/C7H2BrF5N2O2/c8-4-3(15(16)17)1-2(6(9)10)14-5(4)7(11,12)13/h1,6H
InChIKeyRDSMCPWZAZYQJZ-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

3-bromo-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068192
6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134675700
3-bromo-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131491229
6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
CID 133099375
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
CID 118834924
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
4-bromo-6-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-ol
CID 118839692
2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 118832789
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075
6-(difluoromethyl)-4-fluoro-3-methyl-2-(trifluoromethyl)pyridine
CID 133105555
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine (CID 134663698) is 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine is O=[N+]([O-])c1cc(C(F)F)nc(C(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The InChIKey is RDSMCPWZAZYQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF5N2O2/c8-4-3(15(16)17)1-2(6(9)10)14-5(4)7(11,12)13/h1,6H.
What are the key properties of 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine?
3-bromo-6-(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 3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134663698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).