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

C13H7BrF2N2O — CID 137163206

IUPAC4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3c(F)cccc3F)cc(Br)c12
InChIInChI=1S/C13H7BrF2N2O/c14-6-4-9(12-7(15)2-1-3-8(12)16)18-10-5-17-13(19)11(6)10/h1-5,17,19H
InChIKeyOGZQKDVTFUKZOM-UHFFFAOYSA-N
MW325.11 g/mol
LogP3.98
Rot. Bonds1

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

4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137163206) has the molecular formula C13H7BrF2N2O and a molecular weight of 325.11 g/mol. Its IUPAC name is 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137163206
Molecular FormulaC13H7BrF2N2O
Molecular Weight325.11 g/mol
Exact Mass323.97
IUPAC Name4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3c(F)cccc3F)cc(Br)c12
InChIInChI=1S/C13H7BrF2N2O/c14-6-4-9(12-7(15)2-1-3-8(12)16)18-10-5-17-13(19)11(6)10/h1-5,17,19H
InChIKeyOGZQKDVTFUKZOM-UHFFFAOYSA-N
XLogP3.98
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137163206) is 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol is Oc1[nH]cc2nc(-c3c(F)cccc3F)cc(Br)c12.
What is the InChIKey of 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is OGZQKDVTFUKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2O/c14-6-4-9(12-7(15)2-1-3-8(12)16)18-10-5-17-13(19)11(6)10/h1-5,17,19H.
What are the key properties of 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 325.11 g/mol, XLogP of 3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137163206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).