2,6-dibromo-4-nitro-1,3-azaborinine

C4HBBr2N2O2 — CID 162468437

IUPAC2,6-dibromo-4-nitro-1,3-azaborinine
SMILESO=[N+]([O-])c1bc(Br)nc(Br)c1
InChIInChI=1S/C4HBBr2N2O2/c6-3-1-2(9(10)11)5-4(7)8-3/h1H
InChIKeyMPWDQDYMNRQRNN-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.85
Rot. Bonds1

About 2,6-dibromo-4-nitro-1,3-azaborinine

2,6-dibromo-4-nitro-1,3-azaborinine (PubChem CID 162468437) has the molecular formula C4HBBr2N2O2 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2,6-dibromo-4-nitro-1,3-azaborinine.

Molecular Properties

Compound Name2,6-dibromo-4-nitro-1,3-azaborinine
PubChem CID162468437
Molecular FormulaC4HBBr2N2O2
Molecular Weight279.68 g/mol
Exact Mass277.85
IUPAC Name2,6-dibromo-4-nitro-1,3-azaborinine
SMILESO=[N+]([O-])c1bc(Br)nc(Br)c1
InChIInChI=1S/C4HBBr2N2O2/c6-3-1-2(9(10)11)5-4(7)8-3/h1H
InChIKeyMPWDQDYMNRQRNN-UHFFFAOYSA-N
XLogP1.85
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-ethyl-4-nitropyridine
CID 91102735
(2-bromo-6-nitro-4-pyridinyl)methanol
CID 119012280
2-bromo-4-fluoro-6-nitropyridine
CID 119020612
1-bromo-2,4,5-trinitrobenzene
CID 13333986
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide
CID 86038256
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036
2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
CID 10883644
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
1-bromo-4,5-diiodo-2-nitrobenzene
CID 11503393

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-nitro-1,3-azaborinine?
The IUPAC name of 2,6-dibromo-4-nitro-1,3-azaborinine (CID 162468437) is 2,6-dibromo-4-nitro-1,3-azaborinine.
What is the SMILES notation for 2,6-dibromo-4-nitro-1,3-azaborinine?
The canonical SMILES for 2,6-dibromo-4-nitro-1,3-azaborinine is O=[N+]([O-])c1bc(Br)nc(Br)c1.
What is the InChIKey of 2,6-dibromo-4-nitro-1,3-azaborinine?
The InChIKey is MPWDQDYMNRQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBBr2N2O2/c6-3-1-2(9(10)11)5-4(7)8-3/h1H.
What are the key properties of 2,6-dibromo-4-nitro-1,3-azaborinine?
2,6-dibromo-4-nitro-1,3-azaborinine has a molecular weight of 279.68 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-nitro-1,3-azaborinine is sourced from PubChem (CID 162468437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).