2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine

C6H2BrF3N2O2 — CID 119002402

IUPAC2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
SMILESO=[N+]([O-])c1c(F)cnc(Br)c1C(F)F
InChIInChI=1S/C6H2BrF3N2O2/c7-5-3(6(9)10)4(12(13)14)2(8)1-11-5/h1,6H
InChIKeyIZOSDPMYAHCAJW-UHFFFAOYSA-N
MW270.99 g/mol
LogP2.83
Rot. Bonds2

About 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine

2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine (PubChem CID 119002402) has the molecular formula C6H2BrF3N2O2 and a molecular weight of 270.99 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
PubChem CID119002402
Molecular FormulaC6H2BrF3N2O2
Molecular Weight270.99 g/mol
Exact Mass269.93
IUPAC Name2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
SMILESO=[N+]([O-])c1c(F)cnc(Br)c1C(F)F
InChIInChI=1S/C6H2BrF3N2O2/c7-5-3(6(9)10)4(12(13)14)2(8)1-11-5/h1,6H
InChIKeyIZOSDPMYAHCAJW-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

2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
CID 130069724
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide
CID 118840768
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-3-nitropyridine
CID 130069731
ethyl 2-[3-(difluoromethyl)-5-fluoro-4-nitro-2-pyridinyl]acetate
CID 133104912
5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134685339
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine?
The IUPAC name of 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine (CID 119002402) is 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine is O=[N+]([O-])c1c(F)cnc(Br)c1C(F)F.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine?
The InChIKey is IZOSDPMYAHCAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N2O2/c7-5-3(6(9)10)4(12(13)14)2(8)1-11-5/h1,6H.
What are the key properties of 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine?
2-bromo-3-(difluoromethyl)-5-fluoro-4-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 2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine is sourced from PubChem (CID 119002402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).