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

C9H7ClN2O2 — CID 71670235

IUPAC2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CCCl
InChIInChI=1S/C9H7ClN2O2/c10-2-4-12-8(13)6-1-3-11-5-7(6)9(12)14/h1,3,5H,2,4H2
InChIKeyRUUWBIPSKPYDNY-UHFFFAOYSA-N
MW210.62 g/mol
LogP0.92
Rot. Bonds2

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

2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 71670235) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID71670235
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CCCl
InChIInChI=1S/C9H7ClN2O2/c10-2-4-12-8(13)6-1-3-11-5-7(6)9(12)14/h1,3,5H,2,4H2
InChIKeyRUUWBIPSKPYDNY-UHFFFAOYSA-N
XLogP0.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodopropyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 66584998
2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20866740
2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 83030500
2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303668
2-[(3-chlorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 3551764
2-[(2-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930772
2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
CID 25417104
2-(piperidin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303630
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-(4-chlorophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 710862
2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930756

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 71670235) is 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1CCCl.
What is the InChIKey of 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is RUUWBIPSKPYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-2-4-12-8(13)6-1-3-11-5-7(6)9(12)14/h1,3,5H,2,4H2.
What are the key properties of 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 210.62 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 71670235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).