4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline

C12H9BrCl2N4O2 — CID 107795411

IUPAC4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
SMILESNNc1cccc(Nc2ccc(Br)c(Cl)c2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H9BrCl2N4O2/c13-6-4-5-7(11(15)10(6)14)17-8-2-1-3-9(18-16)12(8)19(20)21/h1-5,17-18H,16H2
InChIKeyCWHXCTOEOWIZPU-UHFFFAOYSA-N
MW392.04 g/mol
LogP4.69
Rot. Bonds4

About 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline

4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline (PubChem CID 107795411) has the molecular formula C12H9BrCl2N4O2 and a molecular weight of 392.04 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
PubChem CID107795411
Molecular FormulaC12H9BrCl2N4O2
Molecular Weight392.04 g/mol
Exact Mass389.93
IUPAC Name4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
SMILESNNc1cccc(Nc2ccc(Br)c(Cl)c2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H9BrCl2N4O2/c13-6-4-5-7(11(15)10(6)14)17-8-2-1-3-9(18-16)12(8)19(20)21/h1-5,17-18H,16H2
InChIKeyCWHXCTOEOWIZPU-UHFFFAOYSA-N
XLogP4.69
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.04
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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

N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80917166
N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
CID 107604853
N-(2-bromo-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
CID 80924191
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80906963
1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine
CID 170430604
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
N-(2-bromophenyl)-3-chloro-2-nitroaniline
CID 104838746
3-N-(2-bromo-5-chlorophenyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 81261536
1-N-(4-bromo-2,3-dichlorophenyl)-4-nitrobenzene-1,3-diamine
CID 107794769
2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile
CID 80903969
3-N-(4-bromo-2-chlorophenyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80772520

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline (CID 107795411) is 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline is NNc1cccc(Nc2ccc(Br)c(Cl)c2Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline?
The InChIKey is CWHXCTOEOWIZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N4O2/c13-6-4-5-7(11(15)10(6)14)17-8-2-1-3-9(18-16)12(8)19(20)21/h1-5,17-18H,16H2.
What are the key properties of 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline?
4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline has a molecular weight of 392.04 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline is sourced from PubChem (CID 107795411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).