2-bromo-1-(diazonioamino)-4-nitrobenzene

C6H4BrN4O2+ — CID 151722653

IUPAC2-bromo-1-(diazonioamino)-4-nitrobenzene
SMILESN#[N+]Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C6H4BrN4O2/c7-5-3-4(11(12)13)1-2-6(5)9-10-8/h1-3,9H/q+1
InChIKeyRIXGKWZUWZDYSR-UHFFFAOYSA-N
MW244.03 g/mol
LogP2.54
Rot. Bonds2

About 2-bromo-1-(diazonioamino)-4-nitrobenzene

2-bromo-1-(diazonioamino)-4-nitrobenzene (PubChem CID 151722653) has the molecular formula C6H4BrN4O2+ and a molecular weight of 244.03 g/mol. Its IUPAC name is 2-bromo-1-(diazonioamino)-4-nitrobenzene.

Molecular Properties

Compound Name2-bromo-1-(diazonioamino)-4-nitrobenzene
PubChem CID151722653
Molecular FormulaC6H4BrN4O2+
Molecular Weight244.03 g/mol
Exact Mass242.95
IUPAC Name2-bromo-1-(diazonioamino)-4-nitrobenzene
SMILESN#[N+]Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C6H4BrN4O2/c7-5-3-4(11(12)13)1-2-6(5)9-10-8/h1-3,9H/q+1
InChIKeyRIXGKWZUWZDYSR-UHFFFAOYSA-N
XLogP2.54
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.03
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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

N-(2-bromo-4-nitrophenyl)-1-cyanomethanesulfonamide
CID 107810838
2-bromo-4-nitro-1-(sulfamoylamino)benzene
CID 112573617
2-bromo-N-[(2-bromophenyl)methyl]-4-nitroaniline
CID 43742303
2-bromo-4-nitro-N-(2-phenylethyl)aniline
CID 2767749
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
2-bromo-N-(2-ethylbutyl)-4-nitroaniline
CID 43742267
2-bromo-4-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 43742189
2-bromo-N-(2,3-dimethylbutyl)-4-nitroaniline
CID 64598369
2-bromo-5-nitrobenzenediazonium tetrafluoroborate
CID 82973448
N-(2-bromo-4-nitrophenyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 142346232
N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide
CID 22163208

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(diazonioamino)-4-nitrobenzene?
The IUPAC name of 2-bromo-1-(diazonioamino)-4-nitrobenzene (CID 151722653) is 2-bromo-1-(diazonioamino)-4-nitrobenzene.
What is the SMILES notation for 2-bromo-1-(diazonioamino)-4-nitrobenzene?
The canonical SMILES for 2-bromo-1-(diazonioamino)-4-nitrobenzene is N#[N+]Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-bromo-1-(diazonioamino)-4-nitrobenzene?
The InChIKey is RIXGKWZUWZDYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN4O2/c7-5-3-4(11(12)13)1-2-6(5)9-10-8/h1-3,9H/q+1.
What are the key properties of 2-bromo-1-(diazonioamino)-4-nitrobenzene?
2-bromo-1-(diazonioamino)-4-nitrobenzene has a molecular weight of 244.03 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(diazonioamino)-4-nitrobenzene is sourced from PubChem (CID 151722653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).