8-amino-4-bromonaphthalene-1-sulfinic acid

C10H8BrNO2S — CID 163258806

IUPAC8-amino-4-bromonaphthalene-1-sulfinic acid
SMILESNc1cccc2c(Br)ccc(S(=O)O)c12
InChIInChI=1S/C10H8BrNO2S/c11-7-4-5-9(15(13)14)10-6(7)2-1-3-8(10)12/h1-5H,12H2,(H,13,14)
InChIKeyQFBUDZLWXDOSJU-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.77
Rot. Bonds1

About 8-amino-4-bromonaphthalene-1-sulfinic acid

8-amino-4-bromonaphthalene-1-sulfinic acid (PubChem CID 163258806) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is 8-amino-4-bromonaphthalene-1-sulfinic acid.

Molecular Properties

Compound Name8-amino-4-bromonaphthalene-1-sulfinic acid
PubChem CID163258806
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name8-amino-4-bromonaphthalene-1-sulfinic acid
SMILESNc1cccc2c(Br)ccc(S(=O)O)c12
InChIInChI=1S/C10H8BrNO2S/c11-7-4-5-9(15(13)14)10-6(7)2-1-3-8(10)12/h1-5H,12H2,(H,13,14)
InChIKeyQFBUDZLWXDOSJU-UHFFFAOYSA-N
XLogP2.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-4-bromonaphthalene-1-sulfinic acid?
The IUPAC name of 8-amino-4-bromonaphthalene-1-sulfinic acid (CID 163258806) is 8-amino-4-bromonaphthalene-1-sulfinic acid.
What is the SMILES notation for 8-amino-4-bromonaphthalene-1-sulfinic acid?
The canonical SMILES for 8-amino-4-bromonaphthalene-1-sulfinic acid is Nc1cccc2c(Br)ccc(S(=O)O)c12.
What is the InChIKey of 8-amino-4-bromonaphthalene-1-sulfinic acid?
The InChIKey is QFBUDZLWXDOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c11-7-4-5-9(15(13)14)10-6(7)2-1-3-8(10)12/h1-5H,12H2,(H,13,14).
What are the key properties of 8-amino-4-bromonaphthalene-1-sulfinic acid?
8-amino-4-bromonaphthalene-1-sulfinic acid has a molecular weight of 286.15 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-bromonaphthalene-1-sulfinic acid is sourced from PubChem (CID 163258806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).