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

C6H2BrF3N2O2 — CID 130109443

IUPAC5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)c(F)nc1C(F)F
InChIInChI=1S/C6H2BrF3N2O2/c7-2-1-3(12(13)14)4(5(8)9)11-6(2)10/h1,5H
InChIKeyAHHDQAVBKKPTRB-UHFFFAOYSA-N
MW270.99 g/mol
LogP2.83
Rot. Bonds2

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

5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine (PubChem CID 130109443) has the molecular formula C6H2BrF3N2O2 and a molecular weight of 270.99 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
PubChem CID130109443
Molecular FormulaC6H2BrF3N2O2
Molecular Weight270.99 g/mol
Exact Mass269.93
IUPAC Name5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)c(F)nc1C(F)F
InChIInChI=1S/C6H2BrF3N2O2/c7-2-1-3(12(13)14)4(5(8)9)11-6(2)10/h1,5H
InChIKeyAHHDQAVBKKPTRB-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-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
CID 130098945
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
CID 118820529
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611
6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 130109420
ethyl 2-[6-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetate
CID 133104681
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
CID 118837551

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine?
The IUPAC name of 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine (CID 130109443) is 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine is O=[N+]([O-])c1cc(Br)c(F)nc1C(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine?
The InChIKey is AHHDQAVBKKPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N2O2/c7-2-1-3(12(13)14)4(5(8)9)11-6(2)10/h1,5H.
What are the key properties of 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine?
5-bromo-2-(difluoromethyl)-6-fluoro-3-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 5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine is sourced from PubChem (CID 130109443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).