6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C7H4ClFN2O — CID 76847830

IUPAC6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(F)c(Cl)nc2N1
InChIInChI=1S/C7H4ClFN2O/c8-6-4(9)1-3-2-5(12)10-7(3)11-6/h1H,2H2,(H,10,11,12)
InChIKeyXHFCILFNGKZEHH-UHFFFAOYSA-N
MW186.57 g/mol
LogP1.37
Rot. Bonds

About 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 76847830) has the molecular formula C7H4ClFN2O and a molecular weight of 186.57 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID76847830
Molecular FormulaC7H4ClFN2O
Molecular Weight186.57 g/mol
Exact Mass186.00
IUPAC Name6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(F)c(Cl)nc2N1
InChIInChI=1S/C7H4ClFN2O/c8-6-4(9)1-3-2-5(12)10-7(3)11-6/h1H,2H2,(H,10,11,12)
InChIKeyXHFCILFNGKZEHH-UHFFFAOYSA-N
XLogP1.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.57
LogP ≤ 51.37
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

5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 10631965
7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 10749642
6-amino-5-fluoro-1,3-dihydroindol-2-one
CID 10103504
7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one
CID 167511589
4-fluoro-6-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 76847817
6-chloro-4-fluoro-1,3-dihydroindol-2-one
CID 66634278
2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 82410094
4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 76847812
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 66570659
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
CID 86611692
5-fluoro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 137347254
5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 101123211

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 76847830) is 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2cc(F)c(Cl)nc2N1.
What is the InChIKey of 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is XHFCILFNGKZEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN2O/c8-6-4(9)1-3-2-5(12)10-7(3)11-6/h1H,2H2,(H,10,11,12).
What are the key properties of 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 186.57 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 76847830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).