N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline

C11H8BrN5O2 — CID 15535148

IUPACN-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=N/c2ccc(Br)cn2)cc1
InChIInChI=1S/C11H8BrN5O2/c12-8-1-6-11(13-7-8)15-16-14-9-2-4-10(5-3-9)17(18)19/h1-7H,(H,13,14,15)
InChIKeyLRISJIPUVBFSGG-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.86
Rot. Bonds4

About N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline

N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline (PubChem CID 15535148) has the molecular formula C11H8BrN5O2 and a molecular weight of 322.12 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline
PubChem CID15535148
Molecular FormulaC11H8BrN5O2
Molecular Weight322.12 g/mol
Exact Mass320.99
IUPAC NameN-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=N/c2ccc(Br)cn2)cc1
InChIInChI=1S/C11H8BrN5O2/c12-8-1-6-11(13-7-8)15-16-14-9-2-4-10(5-3-9)17(18)19/h1-7H,(H,13,14,15)
InChIKeyLRISJIPUVBFSGG-UHFFFAOYSA-N
XLogP3.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_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-[(E)-(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-4-nitroaniline
CID 12513286
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
N-bromo-4-nitroaniline
CID 54285277
1-bromo-4-nitrobenzene;ethane
CID 91498714
5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide
CID 62954085
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-[(E)-butylideneamino]-4-nitroaniline
CID 11095804
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
CID 71359909
2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine
CID 86181783
N-(5-bromo-2-pyridinyl)nitramide
CID 1237179

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline?
The IUPAC name of N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline (CID 15535148) is N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline is O=[N+]([O-])c1ccc(N/N=N/c2ccc(Br)cn2)cc1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline?
The InChIKey is LRISJIPUVBFSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O2/c12-8-1-6-11(13-7-8)15-16-14-9-2-4-10(5-3-9)17(18)19/h1-7H,(H,13,14,15).
What are the key properties of N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline?
N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline has a molecular weight of 322.12 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)diazenyl]-4-nitroaniline is sourced from PubChem (CID 15535148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).