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

C6H2BrF3N2O2 — CID 130109420

IUPAC6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)nc(C(F)F)c1F
InChIInChI=1S/C6H2BrF3N2O2/c7-3-1-2(12(13)14)4(8)5(11-3)6(9)10/h1,6H
InChIKeyTYGIFIWUCXKJKQ-UHFFFAOYSA-N
MW270.99 g/mol
LogP2.83
Rot. Bonds2

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

6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine (PubChem CID 130109420) has the molecular formula C6H2BrF3N2O2 and a molecular weight of 270.99 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
PubChem CID130109420
Molecular FormulaC6H2BrF3N2O2
Molecular Weight270.99 g/mol
Exact Mass269.93
IUPAC Name6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)nc(C(F)F)c1F
InChIInChI=1S/C6H2BrF3N2O2/c7-3-1-2(12(13)14)4(8)5(11-3)6(9)10/h1,6H
InChIKeyTYGIFIWUCXKJKQ-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

6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069111
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
4,6-dibromo-2-(difluoromethyl)-3-fluoropyridine
CID 130098882
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
CID 130098945
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036
5-bromo-1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 131050884
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine?
The IUPAC name of 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine (CID 130109420) is 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine is O=[N+]([O-])c1cc(Br)nc(C(F)F)c1F.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine?
The InChIKey is TYGIFIWUCXKJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N2O2/c7-3-1-2(12(13)14)4(8)5(11-3)6(9)10/h1,6H.
What are the key properties of 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine?
6-bromo-2-(difluoromethyl)-3-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 6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine is sourced from PubChem (CID 130109420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).