5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one

C7H2BrF3N2O — CID 168954457

IUPAC5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2nc(F)c(Br)cc2C1(F)F
InChIInChI=1S/C7H2BrF3N2O/c8-3-1-2-5(12-4(3)9)13-6(14)7(2,10)11/h1H,(H,12,13,14)
InChIKeyQUXLLBIUDHXWCB-UHFFFAOYSA-N
MW267.00 g/mol
LogP2.03
Rot. Bonds

About 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one

5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 168954457) has the molecular formula C7H2BrF3N2O and a molecular weight of 267.00 g/mol. Its IUPAC name is 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID168954457
Molecular FormulaC7H2BrF3N2O
Molecular Weight267.00 g/mol
Exact Mass265.93
IUPAC Name5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2nc(F)c(Br)cc2C1(F)F
InChIInChI=1S/C7H2BrF3N2O/c8-3-1-2-5(12-4(3)9)13-6(14)7(2,10)11/h1H,(H,12,13,14)
InChIKeyQUXLLBIUDHXWCB-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.00
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
CID 170904167
3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane
CID 171527026
5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 155892463
4-bromo-3,3,7-trifluoro-1H-indol-2-one
CID 121361952
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
4-bromo-3,3-difluoro-1H-indol-2-one
CID 66815517
4-(3-bromo-2,6-difluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136767104
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130109845
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039
6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one
CID 166094580
6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-4-fluoro-2H-isoquinolin-1-one
CID 166094292
6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154222644

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one (CID 168954457) is 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2nc(F)c(Br)cc2C1(F)F.
What is the InChIKey of 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is QUXLLBIUDHXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF3N2O/c8-3-1-2-5(12-4(3)9)13-6(14)7(2,10)11/h1H,(H,12,13,14).
What are the key properties of 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 267.00 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 168954457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).