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

C7H2BrClF2N2O — CID 170904167

IUPAC5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2nc(Cl)c(Br)cc2C1(F)F
InChIInChI=1S/C7H2BrClF2N2O/c8-3-1-2-5(12-4(3)9)13-6(14)7(2,10)11/h1H,(H,12,13,14)
InChIKeyJMMBGQMPERHPNB-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.54
Rot. Bonds

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

5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 170904167) has the molecular formula C7H2BrClF2N2O and a molecular weight of 283.46 g/mol. Its IUPAC name is 5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID170904167
Molecular FormulaC7H2BrClF2N2O
Molecular Weight283.46 g/mol
Exact Mass281.90
IUPAC Name5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2nc(Cl)c(Br)cc2C1(F)F
InChIInChI=1S/C7H2BrClF2N2O/c8-3-1-2-5(12-4(3)9)13-6(14)7(2,10)11/h1H,(H,12,13,14)
InChIKeyJMMBGQMPERHPNB-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3,3,6-trifluoro-1H-pyrrolo[2,3-b]pyridin-2-one
CID 168954457
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
4-bromo-3,3-difluoro-1H-indol-2-one
CID 66815517
6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 76847830
6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine
CID 12782385
(5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol
CID 129282196
3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine
CID 124849965
4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 76847812
4-bromo-3,3,7-trifluoro-1H-indol-2-one
CID 121361952
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415
3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine
CID 169074753
3,5-dibromo-6-chloro-N-methylpyridin-2-amine
CID 118705082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one (CID 170904167) is 5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2nc(Cl)c(Br)cc2C1(F)F.
What is the InChIKey of 5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JMMBGQMPERHPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2N2O/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-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 283.46 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 170904167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).