2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine

C7H4BrClF2N2O2 — CID 119020031

IUPAC2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)c(Br)nc1CCl
InChIInChI=1S/C7H4BrClF2N2O2/c8-6-3(7(10)11)1-5(13(14)15)4(2-9)12-6/h1,7H,2H2
InChIKeyBPQPUFJAQYPUPP-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.43
Rot. Bonds3

About 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine

2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine (PubChem CID 119020031) has the molecular formula C7H4BrClF2N2O2 and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine.

Molecular Properties

Compound Name2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
PubChem CID119020031
Molecular FormulaC7H4BrClF2N2O2
Molecular Weight301.47 g/mol
Exact Mass299.91
IUPAC Name2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)c(Br)nc1CCl
InChIInChI=1S/C7H4BrClF2N2O2/c8-6-3(7(10)11)1-5(13(14)15)4(2-9)12-6/h1,7H,2H2
InChIKeyBPQPUFJAQYPUPP-UHFFFAOYSA-N
XLogP3.43
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
6-bromo-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131314333
3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
CID 130074727
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
CID 130099019
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine?
The IUPAC name of 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine (CID 119020031) is 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine.
What is the SMILES notation for 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine?
The canonical SMILES for 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine is O=[N+]([O-])c1cc(C(F)F)c(Br)nc1CCl.
What is the InChIKey of 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine?
The InChIKey is BPQPUFJAQYPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2N2O2/c8-6-3(7(10)11)1-5(13(14)15)4(2-9)12-6/h1,7H,2H2.
What are the key properties of 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine?
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine has a molecular weight of 301.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine is sourced from PubChem (CID 119020031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).