N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine

C9H8BrN3O2 — CID 69096710

IUPACN-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine
SMILESO=[N+]([O-])c1ccc(Br)c(NC2=NCC2)c1
InChIInChI=1S/C9H8BrN3O2/c10-7-2-1-6(13(14)15)5-8(7)12-9-3-4-11-9/h1-2,5H,3-4H2,(H,11,12)
InChIKeyKHWJLQHIUXEUQI-UHFFFAOYSA-N
MW270.09 g/mol
LogP2.57
Rot. Bonds2

About N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine

N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine (PubChem CID 69096710) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine
PubChem CID69096710
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC NameN-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine
SMILESO=[N+]([O-])c1ccc(Br)c(NC2=NCC2)c1
InChIInChI=1S/C9H8BrN3O2/c10-7-2-1-6(13(14)15)5-8(7)12-9-3-4-11-9/h1-2,5H,3-4H2,(H,11,12)
InChIKeyKHWJLQHIUXEUQI-UHFFFAOYSA-N
XLogP2.57
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine
CID 22693180
N-(2-bromo-5-nitrophenyl)sulfamoyl chloride
CID 84760630
3-(2-bromo-5-nitroanilino)propanoic acid
CID 82316599
N-(2-bromo-5-nitrophenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693181
2-bromo-N-(2,4-dimethylpentan-3-yl)-5-nitroaniline
CID 112743241
1-N-(2,5-dibromophenyl)-4-nitrobenzene-1,2-diamine
CID 62507466
2-bromo-5-nitroaniline;N-(2-bromo-5-nitrophenyl)acetamide
CID 87757887
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
1-N-(2-bromo-5-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 82761474
2-(2-bromo-5-methylanilino)-5-nitrobenzonitrile
CID 82756888
methyl (E)-3-(2-bromo-5-nitroanilino)-2-methylprop-2-enoate
CID 67254563
5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
CID 114014927

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine?
The IUPAC name of N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine (CID 69096710) is N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine.
What is the SMILES notation for N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine?
The canonical SMILES for N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine is O=[N+]([O-])c1ccc(Br)c(NC2=NCC2)c1.
What is the InChIKey of N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine?
The InChIKey is KHWJLQHIUXEUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c10-7-2-1-6(13(14)15)5-8(7)12-9-3-4-11-9/h1-2,5H,3-4H2,(H,11,12).
What are the key properties of N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine?
N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine has a molecular weight of 270.09 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine is sourced from PubChem (CID 69096710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).