6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C14H9ClN2O3 — CID 2732655

IUPAC6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H9ClN2O3/c1-20-11-5-4-8(15)7-10(11)17-13(18)9-3-2-6-16-12(9)14(17)19/h2-7H,1H3
InChIKeyAEEHITGBVHDWGF-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.54
Rot. Bonds2

About 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 2732655) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID2732655
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H9ClN2O3/c1-20-11-5-4-8(15)7-10(11)17-13(18)9-3-2-6-16-12(9)14(17)19/h2-7H,1H3
InChIKeyAEEHITGBVHDWGF-UHFFFAOYSA-N
XLogP2.54
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-6H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 44431192
6-(2-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 699158
6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
6-(2,5-dimethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 888493
6-(4-ethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 3237849
N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 767774
5-Chloro-2-(pyridin-3-yl)-1,3-benzoxazole
CID 1084686
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 3243170
8-Chloro-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one
CID 20909129
Pyrrolo[3,4-b]pyridine-5,7-dione, 6-(2-ethoxyphenyl)-
CID 709881
6-(2-Methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 839370
N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 3231047

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 2732655) is 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is COc1ccc(Cl)cc1N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is AEEHITGBVHDWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c1-20-11-5-4-8(15)7-10(11)17-13(18)9-3-2-6-16-12(9)14(17)19/h2-7H,1H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 288.69 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 2732655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).