O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine

C10H8BrClN2O — CID 166102611

IUPACO-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine
SMILESNOc1cc(Br)c2c(Cl)cccc2c1N
InChIInChI=1S/C10H8BrClN2O/c11-6-4-8(15-14)10(13)5-2-1-3-7(12)9(5)6/h1-4H,13-14H2
InChIKeySCNOLLKNFUGGTC-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.09
Rot. Bonds1

About O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine

O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine (PubChem CID 166102611) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine
PubChem CID166102611
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC NameO-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine
SMILESNOc1cc(Br)c2c(Cl)cccc2c1N
InChIInChI=1S/C10H8BrClN2O/c11-6-4-8(15-14)10(13)5-2-1-3-7(12)9(5)6/h1-4H,13-14H2
InChIKeySCNOLLKNFUGGTC-UHFFFAOYSA-N
XLogP3.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine?
The IUPAC name of O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine (CID 166102611) is O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine.
What is the SMILES notation for O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine?
The canonical SMILES for O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine is NOc1cc(Br)c2c(Cl)cccc2c1N.
What is the InChIKey of O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine?
The InChIKey is SCNOLLKNFUGGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c11-6-4-8(15-14)10(13)5-2-1-3-7(12)9(5)6/h1-4H,13-14H2.
What are the key properties of O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine?
O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine has a molecular weight of 287.54 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine is sourced from PubChem (CID 166102611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).