N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline

C12H10Br2N4O2 — CID 107604853

IUPACN-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2c(Br)cccc2Br)c1[N+](=O)[O-]
InChIInChI=1S/C12H10Br2N4O2/c13-7-3-1-4-8(14)11(7)16-9-5-2-6-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2
InChIKeyIXAJNXRKYFVQML-UHFFFAOYSA-N
MW402.05 g/mol
LogP4.15
Rot. Bonds4

About N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline

N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline (PubChem CID 107604853) has the molecular formula C12H10Br2N4O2 and a molecular weight of 402.05 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
PubChem CID107604853
Molecular FormulaC12H10Br2N4O2
Molecular Weight402.05 g/mol
Exact Mass399.92
IUPAC NameN-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2c(Br)cccc2Br)c1[N+](=O)[O-]
InChIInChI=1S/C12H10Br2N4O2/c13-7-3-1-4-8(14)11(7)16-9-5-2-6-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2
InChIKeyIXAJNXRKYFVQML-UHFFFAOYSA-N
XLogP4.15
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.05
LogP ≤ 54.15
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'}

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Related Compounds

4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
CID 107795411
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80906963
N-(2-bromo-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
CID 80924191
N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80917166
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
3-hydrazinyl-N-(3-methylsulfanylphenyl)-2-nitroaniline
CID 80930417
2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile
CID 80903969
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
N-(2-bromophenyl)-3-chloro-2-nitroaniline
CID 104838746
3-N-(4-bromo-2,6-difluorophenyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80828041
[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80911199

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline (CID 107604853) is N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline is NNc1cccc(Nc2c(Br)cccc2Br)c1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline?
The InChIKey is IXAJNXRKYFVQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N4O2/c13-7-3-1-4-8(14)11(7)16-9-5-2-6-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2.
What are the key properties of N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline?
N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline has a molecular weight of 402.05 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 107604853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).