O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine

C12H11Br2NO — CID 20595391

IUPACO-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine
SMILESCc1cc2cc(Br)c(Br)cc2cc1CON
InChIInChI=1S/C12H11Br2NO/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-16-15/h2-5H,6,15H2,1H3
InChIKeyQPLXINIJKMVZKS-UHFFFAOYSA-N
MW345.03 g/mol
LogP4.06
Rot. Bonds2

About O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine

O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine (PubChem CID 20595391) has the molecular formula C12H11Br2NO and a molecular weight of 345.03 g/mol. Its IUPAC name is O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine
PubChem CID20595391
Molecular FormulaC12H11Br2NO
Molecular Weight345.03 g/mol
Exact Mass342.92
IUPAC NameO-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine
SMILESCc1cc2cc(Br)c(Br)cc2cc1CON
InChIInChI=1S/C12H11Br2NO/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-16-15/h2-5H,6,15H2,1H3
InChIKeyQPLXINIJKMVZKS-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine (CID 20595391) is O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine is Cc1cc2cc(Br)c(Br)cc2cc1CON.
What is the InChIKey of O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The InChIKey is QPLXINIJKMVZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-16-15/h2-5H,6,15H2,1H3.
What are the key properties of O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine has a molecular weight of 345.03 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 20595391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).