6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione

C14H10ClN3O2 — CID 2133493

IUPAC6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CNc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O2/c15-9-3-5-10(6-4-9)17-8-18-13(19)11-2-1-7-16-12(11)14(18)20/h1-7,17H,8H2
InChIKeyRTVQVAQHLLKTCH-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.40
Rot. Bonds3

About 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 2133493) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID2133493
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CNc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O2/c15-9-3-5-10(6-4-9)17-8-18-13(19)11-2-1-7-16-12(11)14(18)20/h1-7,17H,8H2
InChIKeyRTVQVAQHLLKTCH-UHFFFAOYSA-N
XLogP2.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
CID 11373218
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
N-(3-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604410
Quinazolin-4(3H)-one, 1,2-dihydro-3-(4-chlorophenyl)-2-(2-pyridyl)-
CID 620910
3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11280247
6-cyclohexyl-7-[(4-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3238287
2'-[(2-Chlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10784586
2'-[(4-Chloro-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10809495
N-(4-chloro-2-((5-fluoro-1,3-dioxoisoindolin-2-yl)methyl)phenyl)picolinamide
CID 11200691
N-(4-chloro-2-((1,3-dioxoisoindolin-2-yl)methyl)phenyl)picolinamide
CID 11463475
N-(5-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4413149
6-phenyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 704826

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 2133493) is 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1CNc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is RTVQVAQHLLKTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-9-3-5-10(6-4-9)17-8-18-13(19)11-2-1-7-16-12(11)14(18)20/h1-7,17H,8H2.
What are the key properties of 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 287.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloroanilino)methyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 2133493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).