N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline

C12H10BrFN4O2 — CID 80906963

IUPACN-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2cc(Br)ccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C12H10BrFN4O2/c13-7-4-5-8(14)11(6-7)16-9-2-1-3-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2
InChIKeyWOHFMOYLDBSWFE-UHFFFAOYSA-N
MW341.14 g/mol
LogP3.53
Rot. Bonds4

About N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline

N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline (PubChem CID 80906963) has the molecular formula C12H10BrFN4O2 and a molecular weight of 341.14 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
PubChem CID80906963
Molecular FormulaC12H10BrFN4O2
Molecular Weight341.14 g/mol
Exact Mass340.00
IUPAC NameN-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2cc(Br)ccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C12H10BrFN4O2/c13-7-4-5-8(14)11(6-7)16-9-2-1-3-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2
InChIKeyWOHFMOYLDBSWFE-UHFFFAOYSA-N
XLogP3.53
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(5-bromo-2-fluorophenyl)-2-nitrobenzene-1,3-diamine
CID 80787648
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
CID 80928610
N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
CID 107604853
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
CID 107795411
N-(2-bromo-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
CID 80924191
1-N-methyl-2-nitro-3-N-(2,4,5-trifluorophenyl)benzene-1,3-diamine
CID 80803787
N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80917166
3-N-(4-bromo-2,6-difluorophenyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80828041
3-N-(5-chloro-2-fluorophenyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80773568
N-(2-bromo-5-fluorophenyl)-3-fluoro-2-nitroaniline
CID 107637212

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline (CID 80906963) is N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline is NNc1cccc(Nc2cc(Br)ccc2F)c1[N+](=O)[O-].
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The InChIKey is WOHFMOYLDBSWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O2/c13-7-4-5-8(14)11(6-7)16-9-2-1-3-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2.
What are the key properties of N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline has a molecular weight of 341.14 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 80906963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).