4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one

C8H7BrN2O2 — CID 166108988

IUPAC4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1(O)C(=O)Nc2nccc(Br)c21
InChIInChI=1S/C8H7BrN2O2/c1-8(13)5-4(9)2-3-10-6(5)11-7(8)12/h2-3,13H,1H3,(H,10,11,12)
InChIKeyDDSRWOGQIGYSIH-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.00
Rot. Bonds

About 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one

4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 166108988) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID166108988
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1(O)C(=O)Nc2nccc(Br)c21
InChIInChI=1S/C8H7BrN2O2/c1-8(13)5-4(9)2-3-10-6(5)11-7(8)12/h2-3,13H,1H3,(H,10,11,12)
InChIKeyDDSRWOGQIGYSIH-UHFFFAOYSA-N
XLogP1.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one (CID 166108988) is 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one is CC1(O)C(=O)Nc2nccc(Br)c21.
What is the InChIKey of 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is DDSRWOGQIGYSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c1-8(13)5-4(9)2-3-10-6(5)11-7(8)12/h2-3,13H,1H3,(H,10,11,12).
What are the key properties of 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one?
4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 243.06 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 166108988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).