N-[(2-bromophenyl)methylidene]hydroxylamine

C7H6BrNO — CID 736214

IUPACN-[(2-bromophenyl)methylidene]hydroxylamine
SMILESON=Cc1ccccc1Br
InChIInChI=1S/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H
InChIKeyPSIRFUPZHPEKAE-UHFFFAOYSA-N
MW200.04 g/mol
LogP2.26
Rot. Bonds1

About N-[(2-bromophenyl)methylidene]hydroxylamine

N-[(2-bromophenyl)methylidene]hydroxylamine (PubChem CID 736214) has the molecular formula C7H6BrNO and a molecular weight of 200.04 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylidene]hydroxylamine
PubChem CID736214
Molecular FormulaC7H6BrNO
Molecular Weight200.04 g/mol
Exact Mass198.96
IUPAC NameN-[(2-bromophenyl)methylidene]hydroxylamine
SMILESON=Cc1ccccc1Br
InChIInChI=1S/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H
InChIKeyPSIRFUPZHPEKAE-UHFFFAOYSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
(2-bromophenyl)methylidenehydrazine
CID 73079892
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
N-[(2-bromophenyl)methylidene]benzamide
CID 135079268
(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
CID 59052755
N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826534
(NE)-N-[(2-bromophenyl)methylidene]-1,1,1-trifluoromethanesulfonamide
CID 177485422
2-(2-bromophenyl)ethenol
CID 174465941
(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 15033296
(NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine
CID 122361009

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-bromophenyl)methylidene]hydroxylamine (CID 736214) is N-[(2-bromophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-bromophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-bromophenyl)methylidene]hydroxylamine is ON=Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methylidene]hydroxylamine?
The InChIKey is PSIRFUPZHPEKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H.
What are the key properties of N-[(2-bromophenyl)methylidene]hydroxylamine?
N-[(2-bromophenyl)methylidene]hydroxylamine has a molecular weight of 200.04 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 736214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).