6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide

C10H14BrNO2 — CID 11957526

IUPAC6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide
SMILESBr.NC1CCc2cc(O)c(O)cc2C1
InChIInChI=1S/C10H13NO2.BrH/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8;/h4-5,8,12-13H,1-3,11H2;1H
InChIKeyZGHHIOBQEXZBAG-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.49
Rot. Bonds

About 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide

6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide (PubChem CID 11957526) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide.

Molecular Properties

Compound Name6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide
PubChem CID11957526
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide
SMILESBr.NC1CCc2cc(O)c(O)cc2C1
InChIInChI=1S/C10H13NO2.BrH/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8;/h4-5,8,12-13H,1-3,11H2;1H
InChIKeyZGHHIOBQEXZBAG-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide?
The IUPAC name of 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide (CID 11957526) is 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide.
What is the SMILES notation for 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide?
The canonical SMILES for 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide is Br.NC1CCc2cc(O)c(O)cc2C1.
What is the InChIKey of 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide?
The InChIKey is ZGHHIOBQEXZBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.BrH/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8;/h4-5,8,12-13H,1-3,11H2;1H.
What are the key properties of 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide?
6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide has a molecular weight of 260.13 g/mol, XLogP of 1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide is sourced from PubChem (CID 11957526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).