2,5-dibromo-6-(difluoromethyl)-3-nitropyridine

C6H2Br2F2N2O2 — CID 130098945

IUPAC2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)c(C(F)F)nc1Br
InChIInChI=1S/C6H2Br2F2N2O2/c7-2-1-3(12(13)14)5(8)11-4(2)6(9)10/h1,6H
InChIKeyCTRNAURZJFZQSK-UHFFFAOYSA-N
MW331.90 g/mol
LogP3.45
Rot. Bonds2

About 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine

2,5-dibromo-6-(difluoromethyl)-3-nitropyridine (PubChem CID 130098945) has the molecular formula C6H2Br2F2N2O2 and a molecular weight of 331.90 g/mol. Its IUPAC name is 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine.

Molecular Properties

Compound Name2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
PubChem CID130098945
Molecular FormulaC6H2Br2F2N2O2
Molecular Weight331.90 g/mol
Exact Mass329.85
IUPAC Name2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)c(C(F)F)nc1Br
InChIInChI=1S/C6H2Br2F2N2O2/c7-2-1-3(12(13)14)5(8)11-4(2)6(9)10/h1,6H
InChIKeyCTRNAURZJFZQSK-UHFFFAOYSA-N
XLogP3.45
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.90
LogP ≤ 53.45
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

5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
CID 130110130
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 130109420
6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069111
4-bromo-2-(difluoromethyl)-5-nitropyridine
CID 118811909
3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
2,5-dibromo-6-(difluoromethyl)pyridin-3-ol
CID 130098897
1-bromo-2,4,5-trinitrobenzene
CID 13333986

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine?
The IUPAC name of 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine (CID 130098945) is 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine.
What is the SMILES notation for 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine?
The canonical SMILES for 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine is O=[N+]([O-])c1cc(Br)c(C(F)F)nc1Br.
What is the InChIKey of 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine?
The InChIKey is CTRNAURZJFZQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2F2N2O2/c7-2-1-3(12(13)14)5(8)11-4(2)6(9)10/h1,6H.
What are the key properties of 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine?
2,5-dibromo-6-(difluoromethyl)-3-nitropyridine has a molecular weight of 331.90 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-6-(difluoromethyl)-3-nitropyridine is sourced from PubChem (CID 130098945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).