1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide

C10H14BrNO2 — CID 2733730

IUPAC1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
SMILESBr.CC1NCCc2cc(O)c(O)cc21
InChIInChI=1S/C10H13NO2.BrH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H
InChIKeyOGMGXKJQIOUTTB-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.88
Rot. Bonds

About 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide

1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide (PubChem CID 2733730) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
PubChem CID2733730
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
SMILESBr.CC1NCCc2cc(O)c(O)cc21
InChIInChI=1S/C10H13NO2.BrH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H
InChIKeyOGMGXKJQIOUTTB-UHFFFAOYSA-N
XLogP1.88
TPSA52.49 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 ≤ 51.88
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 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide (CID 2733730) is 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide is Br.CC1NCCc2cc(O)c(O)cc21.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide?
The InChIKey is OGMGXKJQIOUTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.BrH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H.
What are the key properties of 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide?
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide has a molecular weight of 260.13 g/mol, XLogP of 1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide is sourced from PubChem (CID 2733730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).