2-bromo-3-(difluoromethoxy)-5-nitropyridine

C6H3BrF2N2O3 — CID 130863918

IUPAC2-bromo-3-(difluoromethoxy)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Br)c(OC(F)F)c1
InChIInChI=1S/C6H3BrF2N2O3/c7-5-4(14-6(8)9)1-3(2-10-5)11(12)13/h1-2,6H
InChIKeyJRZZBJUJTQWOJT-UHFFFAOYSA-N
MW269.00 g/mol
LogP2.35
Rot. Bonds3

About 2-bromo-3-(difluoromethoxy)-5-nitropyridine

2-bromo-3-(difluoromethoxy)-5-nitropyridine (PubChem CID 130863918) has the molecular formula C6H3BrF2N2O3 and a molecular weight of 269.00 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethoxy)-5-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethoxy)-5-nitropyridine
PubChem CID130863918
Molecular FormulaC6H3BrF2N2O3
Molecular Weight269.00 g/mol
Exact Mass267.93
IUPAC Name2-bromo-3-(difluoromethoxy)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Br)c(OC(F)F)c1
InChIInChI=1S/C6H3BrF2N2O3/c7-5-4(14-6(8)9)1-3(2-10-5)11(12)13/h1-2,6H
InChIKeyJRZZBJUJTQWOJT-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-bromo-3-ethoxy-5-nitropyridine
CID 119000292
2-bromo-5-nitro-3-(trifluoromethyl)pyridine
CID 53486350
2-bromo-1-(difluoromethoxy)-3-methyl-5-nitrobenzene
CID 118995767
3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
1,2-dibromo-4-(difluoromethoxy)-5-nitrobenzene
CID 118802196
2-bromo-6-(difluoromethoxy)-4-nitropyridine
CID 119019004
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860
4-bromo-2-(difluoromethoxy)-5-nitropyridine
CID 118800660
3-(difluoromethoxy)-2-fluoro-5-nitrobenzaldehyde
CID 171031916
2-(difluoromethoxy)-4-nitro-1-(trifluoromethoxy)benzene
CID 46311619
2-(difluoromethoxy)-4-nitropyridine
CID 130836809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethoxy)-5-nitropyridine?
The IUPAC name of 2-bromo-3-(difluoromethoxy)-5-nitropyridine (CID 130863918) is 2-bromo-3-(difluoromethoxy)-5-nitropyridine.
What is the SMILES notation for 2-bromo-3-(difluoromethoxy)-5-nitropyridine?
The canonical SMILES for 2-bromo-3-(difluoromethoxy)-5-nitropyridine is O=[N+]([O-])c1cnc(Br)c(OC(F)F)c1.
What is the InChIKey of 2-bromo-3-(difluoromethoxy)-5-nitropyridine?
The InChIKey is JRZZBJUJTQWOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N2O3/c7-5-4(14-6(8)9)1-3(2-10-5)11(12)13/h1-2,6H.
What are the key properties of 2-bromo-3-(difluoromethoxy)-5-nitropyridine?
2-bromo-3-(difluoromethoxy)-5-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-3-(difluoromethoxy)-5-nitropyridine is sourced from PubChem (CID 130863918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).