5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one

C9H9BrN2O — CID 19079307

IUPAC5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)Nc2ncc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-9(2)6-3-5(10)4-11-7(6)12-8(9)13/h3-4H,1-2H3,(H,11,12,13)
InChIKeyOBRVKOXWMFKRCE-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.07
Rot. Bonds

About 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one

5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 19079307) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID19079307
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)Nc2ncc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-9(2)6-3-5(10)4-11-7(6)12-8(9)13/h3-4H,1-2H3,(H,11,12,13)
InChIKeyOBRVKOXWMFKRCE-UHFFFAOYSA-N
XLogP2.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (CID 19079307) is 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is CC1(C)C(=O)Nc2ncc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is OBRVKOXWMFKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-9(2)6-3-5(10)4-11-7(6)12-8(9)13/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 241.09 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 19079307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).