(4-bromo-2-nitrophenyl)methylhydrazine

C7H8BrN3O2 — CID 114380923

IUPAC(4-bromo-2-nitrophenyl)methylhydrazine
SMILESNNCc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H8BrN3O2/c8-6-2-1-5(4-10-9)7(3-6)11(12)13/h1-3,10H,4,9H2
InChIKeyIHJGLSWGFBIQFX-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.32
Rot. Bonds3

About (4-bromo-2-nitrophenyl)methylhydrazine

(4-bromo-2-nitrophenyl)methylhydrazine (PubChem CID 114380923) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is (4-bromo-2-nitrophenyl)methylhydrazine.

Molecular Properties

Compound Name(4-bromo-2-nitrophenyl)methylhydrazine
PubChem CID114380923
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name(4-bromo-2-nitrophenyl)methylhydrazine
SMILESNNCc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H8BrN3O2/c8-6-2-1-5(4-10-9)7(3-6)11(12)13/h1-3,10H,4,9H2
InChIKeyIHJGLSWGFBIQFX-UHFFFAOYSA-N
XLogP1.32
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-bromo-2-nitrophenyl)acetohydrazide
CID 57010527
2,4-dibromo-N-[(4-bromo-2-nitrophenyl)methyl]aniline
CID 114381168
3-[(4-bromo-2-nitrophenyl)methylamino]propane-1-sulfonamide
CID 114385628
N-[(4-bromo-2-nitrophenyl)methyl]prop-2-yn-1-amine
CID 114380929
1-(4-bromo-2-nitrophenyl)-N-[(2-bromophenyl)methyl]methanamine
CID 114381152
N-[(4-bromo-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 114380940
N-[(4-bromo-2-nitrophenyl)methyl]-4-methylaniline
CID 114381023
4-bromo-1-[(4-bromo-2-nitrophenyl)methylsulfanylmethyl]-2-nitrobenzene
CID 87537802
N-[(4-bromo-2-nitrophenyl)methyl]-2-fluoroaniline
CID 114381000
N-[(4-bromo-2-nitrophenyl)methyl]oxan-4-amine
CID 114381098
ethyl 4-[(4-bromo-2-nitrophenyl)methylamino]butanoate
CID 114381346
4-bromo-N-[(4-bromo-2-nitrophenyl)methyl]-3-fluoroaniline
CID 114381370

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-nitrophenyl)methylhydrazine?
The IUPAC name of (4-bromo-2-nitrophenyl)methylhydrazine (CID 114380923) is (4-bromo-2-nitrophenyl)methylhydrazine.
What is the SMILES notation for (4-bromo-2-nitrophenyl)methylhydrazine?
The canonical SMILES for (4-bromo-2-nitrophenyl)methylhydrazine is NNCc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of (4-bromo-2-nitrophenyl)methylhydrazine?
The InChIKey is IHJGLSWGFBIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-6-2-1-5(4-10-9)7(3-6)11(12)13/h1-3,10H,4,9H2.
What are the key properties of (4-bromo-2-nitrophenyl)methylhydrazine?
(4-bromo-2-nitrophenyl)methylhydrazine has a molecular weight of 246.06 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-nitrophenyl)methylhydrazine is sourced from PubChem (CID 114380923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).