6-aminonaphthalene-1,2-diol;hydrobromide

C10H10BrNO2 — CID 155821186

IUPAC6-aminonaphthalene-1,2-diol;hydrobromide
SMILESBr.Nc1ccc2c(O)c(O)ccc2c1
InChIInChI=1S/C10H9NO2.BrH/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;/h1-5,12-13H,11H2;1H
InChIKeyCXKZLOXCRDDBRY-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.41
Rot. Bonds

About 6-aminonaphthalene-1,2-diol;hydrobromide

6-aminonaphthalene-1,2-diol;hydrobromide (PubChem CID 155821186) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-aminonaphthalene-1,2-diol;hydrobromide.

Molecular Properties

Compound Name6-aminonaphthalene-1,2-diol;hydrobromide
PubChem CID155821186
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name6-aminonaphthalene-1,2-diol;hydrobromide
SMILESBr.Nc1ccc2c(O)c(O)ccc2c1
InChIInChI=1S/C10H9NO2.BrH/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;/h1-5,12-13H,11H2;1H
InChIKeyCXKZLOXCRDDBRY-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-aminonaphthalene-1,2-diol;hydrobromide?
The IUPAC name of 6-aminonaphthalene-1,2-diol;hydrobromide (CID 155821186) is 6-aminonaphthalene-1,2-diol;hydrobromide.
What is the SMILES notation for 6-aminonaphthalene-1,2-diol;hydrobromide?
The canonical SMILES for 6-aminonaphthalene-1,2-diol;hydrobromide is Br.Nc1ccc2c(O)c(O)ccc2c1.
What is the InChIKey of 6-aminonaphthalene-1,2-diol;hydrobromide?
The InChIKey is CXKZLOXCRDDBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.BrH/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;/h1-5,12-13H,11H2;1H.
What are the key properties of 6-aminonaphthalene-1,2-diol;hydrobromide?
6-aminonaphthalene-1,2-diol;hydrobromide has a molecular weight of 256.10 g/mol, XLogP of 2.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminonaphthalene-1,2-diol;hydrobromide is sourced from PubChem (CID 155821186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).