2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione

C17H9BrN2O2 — CID 134087633

IUPAC2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H9BrN2O2/c18-14-5-6-15(11-4-2-1-3-10(11)14)20-16(21)12-7-8-19-9-13(12)17(20)22/h1-9H
InChIKeyCFJAATIWOWQKBA-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.80
Rot. Bonds1

About 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 134087633) has the molecular formula C17H9BrN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID134087633
Molecular FormulaC17H9BrN2O2
Molecular Weight353.18 g/mol
Exact Mass351.98
IUPAC Name2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H9BrN2O2/c18-14-5-6-15(11-4-2-1-3-10(11)14)20-16(21)12-7-8-19-9-13(12)17(20)22/h1-9H
InChIKeyCFJAATIWOWQKBA-UHFFFAOYSA-N
XLogP3.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-pyridinyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303443
2-(3-amino-4-bromophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 79767536
2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 79671111
2-(4-amino-2-fluorophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 55204224
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
2-bromo-5-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)benzoic acid
CID 115296041
2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930750
2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303967
2-[2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenoxy]acetonitrile
CID 63303620
2-(2,4-dimethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930738
2-(2-amino-4,5-dimethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303402
2-(4-chlorophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 710862

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 134087633) is 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1c1ccc(Br)c2ccccc12.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is CFJAATIWOWQKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrN2O2/c18-14-5-6-15(11-4-2-1-3-10(11)14)20-16(21)12-7-8-19-9-13(12)17(20)22/h1-9H.
What are the key properties of 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 353.18 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 134087633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).