N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine

C9H11BrFNO3 — CID 117449341

IUPACN-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1c(F)cc(Br)c(CNO)c1OC
InChIInChI=1S/C9H11BrFNO3/c1-14-8-5(4-12-13)6(10)3-7(11)9(8)15-2/h3,12-13H,4H2,1-2H3
InChIKeyCOHPLQTZHROTRN-UHFFFAOYSA-N
MW280.09 g/mol
LogP2.08
Rot. Bonds4

About N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine

N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine (PubChem CID 117449341) has the molecular formula C9H11BrFNO3 and a molecular weight of 280.09 g/mol. Its IUPAC name is N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
PubChem CID117449341
Molecular FormulaC9H11BrFNO3
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC NameN-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1c(F)cc(Br)c(CNO)c1OC
InChIInChI=1S/C9H11BrFNO3/c1-14-8-5(4-12-13)6(10)3-7(11)9(8)15-2/h3,12-13H,4H2,1-2H3
InChIKeyCOHPLQTZHROTRN-UHFFFAOYSA-N
XLogP2.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
3-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117492104
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
CID 84804789
6-bromo-4-fluoro-2,3-dimethoxybenzonitrile
CID 117403749
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
CID 117473006
N-[[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]methyl]hydroxylamine
CID 117291324
N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
methyl 6-bromo-2,4-difluoro-3-methoxybenzoate
CID 118189517
N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84796698

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine (CID 117449341) is N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine is COc1c(F)cc(Br)c(CNO)c1OC.
What is the InChIKey of N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine?
The InChIKey is COHPLQTZHROTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3/c1-14-8-5(4-12-13)6(10)3-7(11)9(8)15-2/h3,12-13H,4H2,1-2H3.
What are the key properties of N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine?
N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine has a molecular weight of 280.09 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117449341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).