2-bromo-6-(difluoromethoxy)-4-nitropyridine

C6H3BrF2N2O3 — CID 119019004

IUPAC2-bromo-6-(difluoromethoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)nc(OC(F)F)c1
InChIInChI=1S/C6H3BrF2N2O3/c7-4-1-3(11(12)13)2-5(10-4)14-6(8)9/h1-2,6H
InChIKeyHIZGOEVLOGNYTG-UHFFFAOYSA-N
MW269.00 g/mol
LogP2.35
Rot. Bonds3

About 2-bromo-6-(difluoromethoxy)-4-nitropyridine

2-bromo-6-(difluoromethoxy)-4-nitropyridine (PubChem CID 119019004) has the molecular formula C6H3BrF2N2O3 and a molecular weight of 269.00 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethoxy)-4-nitropyridine.

Molecular Properties

Compound Name2-bromo-6-(difluoromethoxy)-4-nitropyridine
PubChem CID119019004
Molecular FormulaC6H3BrF2N2O3
Molecular Weight269.00 g/mol
Exact Mass267.93
IUPAC Name2-bromo-6-(difluoromethoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)nc(OC(F)F)c1
InChIInChI=1S/C6H3BrF2N2O3/c7-4-1-3(11(12)13)2-5(10-4)14-6(8)9/h1-2,6H
InChIKeyHIZGOEVLOGNYTG-UHFFFAOYSA-N
XLogP2.35
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.00
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(difluoromethoxy)-4-nitropyridine
CID 130836809
2-bromo-4-(difluoromethoxy)-6-nitropyridine
CID 119003245
2-bromo-6-ethyl-4-nitropyridine
CID 91102735
4-bromo-2-(difluoromethoxy)-5-nitropyridine
CID 118800660
2-bromo-3-(difluoromethoxy)-5-nitropyridine
CID 130863918
2-bromo-1-(difluoromethoxy)-3-methyl-5-nitrobenzene
CID 118995767
2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine
CID 155883085
1,2-dibromo-4-(difluoromethoxy)-5-nitrobenzene
CID 118802196
methyl 2-(6-bromo-4-nitro-2-pyridinyl)acetate
CID 133097972
3-(difluoromethoxy)-2-fluoro-5-nitrobenzaldehyde
CID 171031916
2-(difluoromethoxy)-4-methyl-5-nitropyridine
CID 171503638
4-bromo-2-chloro-6-(difluoromethoxy)pyridine
CID 118811975

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethoxy)-4-nitropyridine?
The IUPAC name of 2-bromo-6-(difluoromethoxy)-4-nitropyridine (CID 119019004) is 2-bromo-6-(difluoromethoxy)-4-nitropyridine.
What is the SMILES notation for 2-bromo-6-(difluoromethoxy)-4-nitropyridine?
The canonical SMILES for 2-bromo-6-(difluoromethoxy)-4-nitropyridine is O=[N+]([O-])c1cc(Br)nc(OC(F)F)c1.
What is the InChIKey of 2-bromo-6-(difluoromethoxy)-4-nitropyridine?
The InChIKey is HIZGOEVLOGNYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N2O3/c7-4-1-3(11(12)13)2-5(10-4)14-6(8)9/h1-2,6H.
What are the key properties of 2-bromo-6-(difluoromethoxy)-4-nitropyridine?
2-bromo-6-(difluoromethoxy)-4-nitropyridine has a molecular weight of 269.00 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethoxy)-4-nitropyridine is sourced from PubChem (CID 119019004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).