2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol

C7H5BrN2O — CID 170919643

IUPAC2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(Br)ccc12
InChIInChI=1S/C7H5BrN2O/c8-6-2-1-4-5(10-6)3-9-7(4)11/h1-3,9,11H
InChIKeyAULGVTABPYYCIU-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.03
Rot. Bonds

About 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol

2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 170919643) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID170919643
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(Br)ccc12
InChIInChI=1S/C7H5BrN2O/c8-6-2-1-4-5(10-6)3-9-7(4)11/h1-3,9,11H
InChIKeyAULGVTABPYYCIU-UHFFFAOYSA-N
XLogP2.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 170919643) is 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol is Oc1[nH]cc2nc(Br)ccc12.
What is the InChIKey of 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is AULGVTABPYYCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-6-2-1-4-5(10-6)3-9-7(4)11/h1-3,9,11H.
What are the key properties of 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 213.03 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 170919643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).