6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

C14H12BrFN2O — CID 123455357

IUPAC6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
SMILESOC1c2cccnc2CN1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2O/c15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13/h1-6,14,19H,7-8H2
InChIKeyVTBNZBNMDWAFPI-UHFFFAOYSA-N
MW323.17 g/mol
LogP2.99
Rot. Bonds2

About 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol (PubChem CID 123455357) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
PubChem CID123455357
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
SMILESOC1c2cccnc2CN1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2O/c15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13/h1-6,14,19H,7-8H2
InChIKeyVTBNZBNMDWAFPI-UHFFFAOYSA-N
XLogP2.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol (CID 123455357) is 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol is OC1c2cccnc2CN1Cc1ccc(Br)cc1F.
What is the InChIKey of 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is VTBNZBNMDWAFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13/h1-6,14,19H,7-8H2.
What are the key properties of 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 323.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 123455357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).