4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C14H9BrClN3O4 — CID 169328241

IUPAC4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCOc1c(Cl)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1Br
InChIInChI=1S/C14H9BrClN3O4/c1-23-11-7(15)2-5(3-8(11)16)19-9(20)4-6-10(12(19)17)14(22)18-13(6)21/h2-4H,17H2,1H3,(H,18,21,22)
InChIKeyQPUUWGMSSLJKID-UHFFFAOYSA-N
MW398.60 g/mol
LogP1.73
Rot. Bonds2

About 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169328241) has the molecular formula C14H9BrClN3O4 and a molecular weight of 398.60 g/mol. Its IUPAC name is 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169328241
Molecular FormulaC14H9BrClN3O4
Molecular Weight398.60 g/mol
Exact Mass396.95
IUPAC Name4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCOc1c(Cl)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1Br
InChIInChI=1S/C14H9BrClN3O4/c1-23-11-7(15)2-5(3-8(11)16)19-9(20)4-6-10(12(19)17)14(22)18-13(6)21/h2-4H,17H2,1H3,(H,18,21,22)
InChIKeyQPUUWGMSSLJKID-UHFFFAOYSA-N
XLogP1.73
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(4-methoxy-3,5-dinitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331377
4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326967
4-amino-5-(3-bromo-4-fluoro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328473
4-amino-5-(3-chloro-4,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328079
4-amino-5-[3-chloro-4-(4-methoxyphenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329813
4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327067
4-amino-5-(4,6-dibromo-2,3-dichlorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327157
4-amino-5-(3,5-diiodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328789
4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327356
4-amino-5-(4-bromo-3-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327552
6-bromo-4,5-dimethoxyisoindole-1,3-dione
CID 154575039
4-amino-5-(4-bromo-3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327033

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169328241) is 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is COc1c(Cl)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1Br.
What is the InChIKey of 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is QPUUWGMSSLJKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O4/c1-23-11-7(15)2-5(3-8(11)16)19-9(20)4-6-10(12(19)17)14(22)18-13(6)21/h2-4H,17H2,1H3,(H,18,21,22).
What are the key properties of 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 398.60 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169328241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).