3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C7H5ClN2O — CID 76848612

IUPAC3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2ncc(Cl)cc21
InChIInChI=1S/C7H5ClN2O/c8-4-1-5-6(9-2-4)3-10-7(5)11/h1-2H,3H2,(H,10,11)
InChIKeyDEIJFACUGWLVHU-UHFFFAOYSA-N
MW168.58 g/mol
LogP0.98
Rot. Bonds

About 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 76848612) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID76848612
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2ncc(Cl)cc21
InChIInChI=1S/C7H5ClN2O/c8-4-1-5-6(9-2-4)3-10-7(5)11/h1-2H,3H2,(H,10,11)
InChIKeyDEIJFACUGWLVHU-UHFFFAOYSA-N
XLogP0.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 16720432
N-Benzyl-6-chloro-nicotinamide
CID 857488
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CID 72829
5H,6H,7H-pyrrolo(3,4-b)pyridin-5-one
CID 10396890
1,2-Dihydro-3H-pyrrolo(3,4-c)pyridin-3-one
CID 20505166
1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 22038513
(2E)-2-[6-(4-chlorophenyl)-5-oxopyrrolo[3,4-b]pyridin-7-ylidene]-N,N-dipropylacetamide
CID 10500208
(6-Chloro-3-pyridinyl)-(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 44427097
N-(2-chloro-4-fluorophenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4158621
6-(4-chlorophenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 804573
6-chloro-N-propylpyridine-3-carboxamide
CID 20114287
2-Chloro-N-methylnicotinamide
CID 12286955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 76848612) is 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2ncc(Cl)cc21.
What is the InChIKey of 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is DEIJFACUGWLVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-4-1-5-6(9-2-4)3-10-7(5)11/h1-2H,3H2,(H,10,11).
What are the key properties of 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 168.58 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 76848612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).