N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine

C7H7BrN2O3 — CID 82687440

IUPACN-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine
SMILESO=[N+]([O-])c1cc(CNO)ccc1Br
InChIInChI=1S/C7H7BrN2O3/c8-6-2-1-5(4-9-11)3-7(6)10(12)13/h1-3,9,11H,4H2
InChIKeyAYPZKPFRMAKFEH-UHFFFAOYSA-N
MW247.05 g/mol
LogP1.84
Rot. Bonds3

About N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine

N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine (PubChem CID 82687440) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine
PubChem CID82687440
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC NameN-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine
SMILESO=[N+]([O-])c1cc(CNO)ccc1Br
InChIInChI=1S/C7H7BrN2O3/c8-6-2-1-5(4-9-11)3-7(6)10(12)13/h1-3,9,11H,4H2
InChIKeyAYPZKPFRMAKFEH-UHFFFAOYSA-N
XLogP1.84
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine
CID 60781321
N-[(4-bromo-3-nitrophenyl)methyl]-3-methylbutan-2-amine
CID 43223292
2-[[(4-bromo-3-nitrophenyl)methylamino]methyl]phenol
CID 115603398
5-[(4-bromo-3-nitrophenyl)methylamino]pentan-1-ol
CID 107302954
N-[(4-bromo-3-nitrophenyl)methyl]-3-fluoropropan-1-amine
CID 115733081
N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine
CID 43222867
N-[(4-bromo-3-nitrophenyl)methyl]-1-(oxan-4-yl)methanamine
CID 55210343
methyl 2-[(4-bromo-3-nitrophenyl)methylamino]propanoate
CID 60781907
N-[(4-bromo-3-nitrophenyl)methyl]-3-methylbutan-1-amine
CID 43222762
N-[(4-bromo-3-nitrophenyl)methyl]-2,4,5-trifluoroaniline
CID 62816584
2-[(4-bromo-3-nitrophenyl)methylamino]ethanesulfonamide
CID 43777311
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43222843

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine (CID 82687440) is N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine is O=[N+]([O-])c1cc(CNO)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine?
The InChIKey is AYPZKPFRMAKFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c8-6-2-1-5(4-9-11)3-7(6)10(12)13/h1-3,9,11H,4H2.
What are the key properties of N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine?
N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine has a molecular weight of 247.05 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine is sourced from PubChem (CID 82687440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).