3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol

C7H7BrClNO2 — CID 84804289

IUPAC3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
SMILESONCc1ccc(Br)c(Cl)c1O
InChIInChI=1S/C7H7BrClNO2/c8-5-2-1-4(3-10-12)7(11)6(5)9/h1-2,10-12H,3H2
InChIKeyHSFREJKWZDQVHC-UHFFFAOYSA-N
MW252.50 g/mol
LogP2.29
Rot. Bonds2

About 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol

3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol (PubChem CID 84804289) has the molecular formula C7H7BrClNO2 and a molecular weight of 252.50 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol.

Molecular Properties

Compound Name3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
PubChem CID84804289
Molecular FormulaC7H7BrClNO2
Molecular Weight252.50 g/mol
Exact Mass250.93
IUPAC Name3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
SMILESONCc1ccc(Br)c(Cl)c1O
InChIInChI=1S/C7H7BrClNO2/c8-5-2-1-4(3-10-12)7(11)6(5)9/h1-2,10-12H,3H2
InChIKeyHSFREJKWZDQVHC-UHFFFAOYSA-N
XLogP2.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.50
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117281678
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
CID 84780927
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol
CID 84795166
4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986
2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol
CID 117276695
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 167530134
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
2,6-difluoro-3-[(hydroxyamino)methyl]phenol
CID 117277165
1,3-dibromo-2-chloro-4-(chloromethyl)benzene
CID 171009765

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol?
The IUPAC name of 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol (CID 84804289) is 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol.
What is the SMILES notation for 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol?
The canonical SMILES for 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol is ONCc1ccc(Br)c(Cl)c1O.
What is the InChIKey of 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol?
The InChIKey is HSFREJKWZDQVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2/c8-5-2-1-4(3-10-12)7(11)6(5)9/h1-2,10-12H,3H2.
What are the key properties of 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol?
3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol has a molecular weight of 252.50 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol is sourced from PubChem (CID 84804289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).