(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine

C7H5BrClNO — CID 59052755

IUPAC(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1Br
InChIInChI=1S/C7H5BrClNO/c8-7-2-1-6(9)3-5(7)4-10-11/h1-4,11H/b10-4+
InChIKeyYBCQKOYSFJOSBZ-ONNFQVAWSA-N
MW234.48 g/mol
LogP2.91
Rot. Bonds1

About (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine

(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine (PubChem CID 59052755) has the molecular formula C7H5BrClNO and a molecular weight of 234.48 g/mol. Its IUPAC name is (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
PubChem CID59052755
Molecular FormulaC7H5BrClNO
Molecular Weight234.48 g/mol
Exact Mass232.92
IUPAC Name(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1Br
InChIInChI=1S/C7H5BrClNO/c8-7-2-1-6(9)3-5(7)4-10-11/h1-4,11H/b10-4+
InChIKeyYBCQKOYSFJOSBZ-ONNFQVAWSA-N
XLogP2.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.48
LogP ≤ 52.91
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

(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
CID 22226003
(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine
CID 163378744
(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
N-[(2-bromophenyl)methylidene]hydroxylamine
CID 736214
N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine
CID 71832955
(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 106892109
N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 2287439
4-(2-bromo-5-chlorophenyl)but-3-enal
CID 170482888
(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980
N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 20984024
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine (CID 59052755) is (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine is O/N=C/c1cc(Cl)ccc1Br.
What is the InChIKey of (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine?
The InChIKey is YBCQKOYSFJOSBZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5BrClNO/c8-7-2-1-6(9)3-5(7)4-10-11/h1-4,11H/b10-4+.
What are the key properties of (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine?
(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine has a molecular weight of 234.48 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 59052755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).