6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine

C6H2BrF3N2O2 — CID 130109415

IUPAC6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
SMILESO=[N+]([O-])c1nc(Br)cc(F)c1C(F)F
InChIInChI=1S/C6H2BrF3N2O2/c7-3-1-2(8)4(5(9)10)6(11-3)12(13)14/h1,5H
InChIKeyVDABEIRPQDFORN-UHFFFAOYSA-N
MW270.99 g/mol
LogP2.83
Rot. Bonds2

About 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine

6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine (PubChem CID 130109415) has the molecular formula C6H2BrF3N2O2 and a molecular weight of 270.99 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
PubChem CID130109415
Molecular FormulaC6H2BrF3N2O2
Molecular Weight270.99 g/mol
Exact Mass269.93
IUPAC Name6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
SMILESO=[N+]([O-])c1nc(Br)cc(F)c1C(F)F
InChIInChI=1S/C6H2BrF3N2O2/c7-3-1-2(8)4(5(9)10)6(11-3)12(13)14/h1,5H
InChIKeyVDABEIRPQDFORN-UHFFFAOYSA-N
XLogP2.83
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.99
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
CID 119002402
6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130109306
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
5-bromo-2-(difluoromethyl)-1-fluoro-3-nitrobenzene
CID 118816368
4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118834583
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine?
The IUPAC name of 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine (CID 130109415) is 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine is O=[N+]([O-])c1nc(Br)cc(F)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine?
The InChIKey is VDABEIRPQDFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N2O2/c7-3-1-2(8)4(5(9)10)6(11-3)12(13)14/h1,5H.
What are the key properties of 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine?
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine has a molecular weight of 270.99 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine is sourced from PubChem (CID 130109415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).