1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one

C15H13BrN2O — CID 14739537

IUPAC1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(c2ccc(Br)cc2)c2ncccc21
InChIInChI=1S/C15H13BrN2O/c1-15(2)12-4-3-9-17-13(12)18(14(15)19)11-7-5-10(16)6-8-11/h3-9H,1-2H3
InChIKeyMDKQPRLVLXGHEL-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.80
Rot. Bonds1

About 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one

1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739537) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739537
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(c2ccc(Br)cc2)c2ncccc21
InChIInChI=1S/C15H13BrN2O/c1-15(2)12-4-3-9-17-13(12)18(14(15)19)11-7-5-10(16)6-8-11/h3-9H,1-2H3
InChIKeyMDKQPRLVLXGHEL-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 66556402
5-bromo-1-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one
CID 15296268
(3Z)-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 122182252
1,3,3-trimethyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
CID 14739554
5-bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one
CID 15504062
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-3-(methylthio)-1-phenyl-
CID 14739490
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,3,3-diethyl-1,3-dihydro-1-phenyl-
CID 14739522
2h-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-3,3-dimethyl-1-phenyl-
CID 14739523
2h-Pyrrolo[2,3-b]pyridin-2-one,3-fluoro-1,3-dihydro-3-methyl-1-phenyl-
CID 14739524
2h-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-3,3-dimethyl-1-(1-methylethyl)-
CID 14739529

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one (CID 14739537) is 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one is CC1(C)C(=O)N(c2ccc(Br)cc2)c2ncccc21.
What is the InChIKey of 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is MDKQPRLVLXGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-15(2)12-4-3-9-17-13(12)18(14(15)19)11-7-5-10(16)6-8-11/h3-9H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 317.19 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).