O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride

C6H6BrClFNO — CID 162421956

IUPACO-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride
SMILESCl.NOc1cc(F)cc(Br)c1
InChIInChI=1S/C6H5BrFNO.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3H,9H2;1H
InChIKeyMCNZYQIULVGJDD-UHFFFAOYSA-N
MW242.47 g/mol
LogP2.26
Rot. Bonds1

About O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride

O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride (PubChem CID 162421956) has the molecular formula C6H6BrClFNO and a molecular weight of 242.47 g/mol. Its IUPAC name is O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride
PubChem CID162421956
Molecular FormulaC6H6BrClFNO
Molecular Weight242.47 g/mol
Exact Mass240.93
IUPAC NameO-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride
SMILESCl.NOc1cc(F)cc(Br)c1
InChIInChI=1S/C6H5BrFNO.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3H,9H2;1H
InChIKeyMCNZYQIULVGJDD-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-(3-chloro-5-fluorophenyl)hydroxylamine
CID 162421873
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine
CID 81325764
O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine
CID 162421856
3-bromo-5-fluoroaniline
CID 15020155
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
CID 81332352
5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
CID 81322372
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991

Frequently Asked Questions

What is the IUPAC name of O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride?
The IUPAC name of O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride (CID 162421956) is O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride?
The canonical SMILES for O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride is Cl.NOc1cc(F)cc(Br)c1.
What is the InChIKey of O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride?
The InChIKey is MCNZYQIULVGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3H,9H2;1H.
What are the key properties of O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride?
O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride has a molecular weight of 242.47 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 O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 162421956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).