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

C8H7BrN2O — CID 15296268

IUPAC5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCN1C(=O)Cc2cc(Br)cnc21
InChIInChI=1S/C8H7BrN2O/c1-11-7(12)3-5-2-6(9)4-10-8(5)11/h2,4H,3H2,1H3
InChIKeyGHEAJJIVIHBUMK-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.36
Rot. Bonds

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

5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 15296268) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID15296268
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCN1C(=O)Cc2cc(Br)cnc21
InChIInChI=1S/C8H7BrN2O/c1-11-7(12)3-5-2-6(9)4-10-8(5)11/h2,4H,3H2,1H3
InChIKeyGHEAJJIVIHBUMK-UHFFFAOYSA-N
XLogP1.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-1-methyl-1H-pyrrolo(2,3-b)pyridine-2,3-dione
CID 70700590
2-Acetylamino-5-bromo-3-methylpyridine
CID 901948
1,3,3-trimethyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
CID 14739554
N-(5-bromo-3-methylpyridin-2-yl)-N-methylbenzamide
CID 71464118
5-bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one
CID 15504062
2-Acetylamino-3-bromo-5-methylpyridine
CID 15179564
6-Bromo-1-(2-phenylacetyl)-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145978216
2h-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-3-methyl-1-phenyl-
CID 14739507
2h-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-3,3-dimethyl-1-(1-methylethyl)-
CID 14739529
1-(4-Bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
CID 14739537
3,3-Dimethyl-1H-pyrrolo[2,3-B]pyridin-2(3H)-one
CID 14739553
3-(3-Bromophenyl)-1-(3-methylpyridin-2-yl)pyrrolidine-2,5-dione
CID 3066585

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one (CID 15296268) is 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one is CN1C(=O)Cc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is GHEAJJIVIHBUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-11-7(12)3-5-2-6(9)4-10-8(5)11/h2,4H,3H2,1H3.
What are the key properties of 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one?
5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 227.06 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 15296268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).