[2-(bromomethyl)-6-nitrophenyl]hydrazine

C7H8BrN3O2 — CID 118855249

IUPAC[2-(bromomethyl)-6-nitrophenyl]hydrazine
SMILESNNc1c(CBr)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H8BrN3O2/c8-4-5-2-1-3-6(11(12)13)7(5)10-9/h1-3,10H,4,9H2
InChIKeyQCYFJHDVWPIPRY-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.78
Rot. Bonds3

About [2-(bromomethyl)-6-nitrophenyl]hydrazine

[2-(bromomethyl)-6-nitrophenyl]hydrazine (PubChem CID 118855249) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is [2-(bromomethyl)-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-(bromomethyl)-6-nitrophenyl]hydrazine
PubChem CID118855249
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name[2-(bromomethyl)-6-nitrophenyl]hydrazine
SMILESNNc1c(CBr)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H8BrN3O2/c8-4-5-2-1-3-6(11(12)13)7(5)10-9/h1-3,10H,4,9H2
InChIKeyQCYFJHDVWPIPRY-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 107352912
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
3-[(2-hydrazinyl-3-nitrophenyl)methylsulfanyl]butan-1-ol
CID 107353498
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075
[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353334

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-nitrophenyl]hydrazine?
The IUPAC name of [2-(bromomethyl)-6-nitrophenyl]hydrazine (CID 118855249) is [2-(bromomethyl)-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-(bromomethyl)-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-(bromomethyl)-6-nitrophenyl]hydrazine is NNc1c(CBr)cccc1[N+](=O)[O-].
What is the InChIKey of [2-(bromomethyl)-6-nitrophenyl]hydrazine?
The InChIKey is QCYFJHDVWPIPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-4-5-2-1-3-6(11(12)13)7(5)10-9/h1-3,10H,4,9H2.
What are the key properties of [2-(bromomethyl)-6-nitrophenyl]hydrazine?
[2-(bromomethyl)-6-nitrophenyl]hydrazine has a molecular weight of 246.06 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-nitrophenyl]hydrazine is sourced from PubChem (CID 118855249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).