5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde

C11H7BrNO3- — CID 163156054

IUPAC5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde
SMILESO=Cc1cccc2c(Br)ccc(N([O-])O)c12
InChIInChI=1S/C11H7BrNO3/c12-9-4-5-10(13(15)16)11-7(6-14)2-1-3-8(9)11/h1-6,15H/q-1
InChIKeyMUJDUKRRJXEYLZ-UHFFFAOYSA-N
MW281.08 g/mol
LogP3.11
Rot. Bonds2

About 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde

5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde (PubChem CID 163156054) has the molecular formula C11H7BrNO3- and a molecular weight of 281.08 g/mol. Its IUPAC name is 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde
PubChem CID163156054
Molecular FormulaC11H7BrNO3-
Molecular Weight281.08 g/mol
Exact Mass279.96
IUPAC Name5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde
SMILESO=Cc1cccc2c(Br)ccc(N([O-])O)c12
InChIInChI=1S/C11H7BrNO3/c12-9-4-5-10(13(15)16)11-7(6-14)2-1-3-8(9)11/h1-6,15H/q-1
InChIKeyMUJDUKRRJXEYLZ-UHFFFAOYSA-N
XLogP3.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde?
The IUPAC name of 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde (CID 163156054) is 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde.
What is the SMILES notation for 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde?
The canonical SMILES for 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde is O=Cc1cccc2c(Br)ccc(N([O-])O)c12.
What is the InChIKey of 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde?
The InChIKey is MUJDUKRRJXEYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrNO3/c12-9-4-5-10(13(15)16)11-7(6-14)2-1-3-8(9)11/h1-6,15H/q-1.
What are the key properties of 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde?
5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde has a molecular weight of 281.08 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-[hydroxy(oxido)amino]naphthalene-1-carbaldehyde is sourced from PubChem (CID 163156054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).