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

C10H9IN2O2 — CID 66584998

IUPAC2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CCCI
InChIInChI=1S/C10H9IN2O2/c11-3-1-5-13-9(14)7-2-4-12-6-8(7)10(13)15/h2,4,6H,1,3,5H2
InChIKeyKZSDVCILXFSDEH-UHFFFAOYSA-N
MW316.10 g/mol
LogP1.50
Rot. Bonds3

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

2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 66584998) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID66584998
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Name2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CCCI
InChIInChI=1S/C10H9IN2O2/c11-3-1-5-13-9(14)7-2-4-12-6-8(7)10(13)15/h2,4,6H,1,3,5H2
InChIKeyKZSDVCILXFSDEH-UHFFFAOYSA-N
XLogP1.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 71670235
2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 83030500
2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20866740
2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 106146222
2-[(2-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930772
2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303668
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(piperidin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303630
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
2-[2-[2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506358
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 107849840
2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930756

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 66584998) is 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1CCCI.
What is the InChIKey of 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is KZSDVCILXFSDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c11-3-1-5-13-9(14)7-2-4-12-6-8(7)10(13)15/h2,4,6H,1,3,5H2.
What are the key properties of 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 316.10 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 66584998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).