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

C9H10BrNO2 — CID 6898114

IUPAC(NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1ccc(Br)cc1/C=N/O
InChIInChI=1S/C9H10BrNO2/c1-2-13-9-4-3-8(10)5-7(9)6-11-12/h3-6,12H,2H2,1H3/b11-6+
InChIKeyOHTNAXRFUOZZOB-IZZDOVSWSA-N
MW244.09 g/mol
LogP2.66
Rot. Bonds3

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

(NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine (PubChem CID 6898114) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine
PubChem CID6898114
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name(NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1ccc(Br)cc1/C=N/O
InChIInChI=1S/C9H10BrNO2/c1-2-13-9-4-3-8(10)5-7(9)6-11-12/h3-6,12H,2H2,1H3/b11-6+
InChIKeyOHTNAXRFUOZZOB-IZZDOVSWSA-N
XLogP2.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-Methoxybenzaldehyde oxime
CID 6861468
4-Ethoxybenzaldehyde oxime
CID 6904186
2-(Benzyloxy)-3,5-dibromobenzaldehyde oxime
CID 6874484
(E)-2-(allyloxy)benzaldehyde oxime
CID 6867701
5-Bromo-2-isopropoxybenzaldehyde thiosemicarbazone
CID 5411864
{4-Bromo-2-[(hydroxyimino)methyl]phenoxy}acetic acid
CID 6894601
5-Bromo-2-[(3-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898098
4-(Benzyloxy)-3-bromobenzaldehyde oxime
CID 6898112
5-Bromo-2-(2-propyn-1-yloxy)benzaldehyde oxime
CID 6898144
5-Bromo-2-[(4-methylbenzyl)oxy]benzaldehyde oxime
CID 6898195
5-Bromo-2-[(4-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898227
5-Bromo-2-[(2-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898238

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine (CID 6898114) is (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine is CCOc1ccc(Br)cc1/C=N/O.
What is the InChIKey of (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is OHTNAXRFUOZZOB-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-2-13-9-4-3-8(10)5-7(9)6-11-12/h3-6,12H,2H2,1H3/b11-6+.
What are the key properties of (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 244.09 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-bromo-2-ethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6898114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).