6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one

C14H9BrF2N2O2 — CID 175615664

IUPAC6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1Cc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H9BrF2N2O2/c15-7-4-10(16)9(11(17)5-7)6-19-13(20)8-2-1-3-18-12(8)14(19)21/h1-5,14,21H,6H2
InChIKeyZHNWHTYLBTUSRD-UHFFFAOYSA-N
MW355.14 g/mol
LogP2.77
Rot. Bonds2

About 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 175615664) has the molecular formula C14H9BrF2N2O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID175615664
Molecular FormulaC14H9BrF2N2O2
Molecular Weight355.14 g/mol
Exact Mass353.98
IUPAC Name6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1Cc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H9BrF2N2O2/c15-7-4-10(16)9(11(17)5-7)6-19-13(20)8-2-1-3-18-12(8)14(19)21/h1-5,14,21H,6H2
InChIKeyZHNWHTYLBTUSRD-UHFFFAOYSA-N
XLogP2.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (CID 175615664) is 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(O)N1Cc1c(F)cc(Br)cc1F.
What is the InChIKey of 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ZHNWHTYLBTUSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O2/c15-7-4-10(16)9(11(17)5-7)6-19-13(20)8-2-1-3-18-12(8)14(19)21/h1-5,14,21H,6H2.
What are the key properties of 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 355.14 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2,6-difluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 175615664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).