2-bromo-1,3-dihydroisoindol-5-ol

C8H8BrNO — CID 58602666

IUPAC2-bromo-1,3-dihydroisoindol-5-ol
SMILESOc1ccc2c(c1)CN(Br)C2
InChIInChI=1S/C8H8BrNO/c9-10-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H,4-5H2
InChIKeyPTEUYVFXDGLWCD-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.02
Rot. Bonds

About 2-bromo-1,3-dihydroisoindol-5-ol

2-bromo-1,3-dihydroisoindol-5-ol (PubChem CID 58602666) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 2-bromo-1,3-dihydroisoindol-5-ol.

Molecular Properties

Compound Name2-bromo-1,3-dihydroisoindol-5-ol
PubChem CID58602666
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name2-bromo-1,3-dihydroisoindol-5-ol
SMILESOc1ccc2c(c1)CN(Br)C2
InChIInChI=1S/C8H8BrNO/c9-10-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H,4-5H2
InChIKeyPTEUYVFXDGLWCD-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dihydroisoindol-5-ol?
The IUPAC name of 2-bromo-1,3-dihydroisoindol-5-ol (CID 58602666) is 2-bromo-1,3-dihydroisoindol-5-ol.
What is the SMILES notation for 2-bromo-1,3-dihydroisoindol-5-ol?
The canonical SMILES for 2-bromo-1,3-dihydroisoindol-5-ol is Oc1ccc2c(c1)CN(Br)C2.
What is the InChIKey of 2-bromo-1,3-dihydroisoindol-5-ol?
The InChIKey is PTEUYVFXDGLWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-10-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H,4-5H2.
What are the key properties of 2-bromo-1,3-dihydroisoindol-5-ol?
2-bromo-1,3-dihydroisoindol-5-ol has a molecular weight of 214.06 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dihydroisoindol-5-ol is sourced from PubChem (CID 58602666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).