3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

C9H5Cl3N2O2 — CID 67261757

IUPAC3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESO=C(c1c[nH]c2c(=O)[nH]ccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C9H5Cl3N2O2/c10-9(11,12)7(15)5-3-14-6-4(5)1-2-13-8(6)16/h1-3,14H,(H,13,16)
InChIKeyDLRNPTDMWNSQSG-UHFFFAOYSA-N
MW279.51 g/mol
LogP2.41
Rot. Bonds1

About 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 67261757) has the molecular formula C9H5Cl3N2O2 and a molecular weight of 279.51 g/mol. Its IUPAC name is 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID67261757
Molecular FormulaC9H5Cl3N2O2
Molecular Weight279.51 g/mol
Exact Mass277.94
IUPAC Name3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESO=C(c1c[nH]c2c(=O)[nH]ccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C9H5Cl3N2O2/c10-9(11,12)7(15)5-3-14-6-4(5)1-2-13-8(6)16/h1-3,14H,(H,13,16)
InChIKeyDLRNPTDMWNSQSG-UHFFFAOYSA-N
XLogP2.41
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (CID 67261757) is 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is O=C(c1c[nH]c2c(=O)[nH]ccc12)C(Cl)(Cl)Cl.
What is the InChIKey of 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is DLRNPTDMWNSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O2/c10-9(11,12)7(15)5-3-14-6-4(5)1-2-13-8(6)16/h1-3,14H,(H,13,16).
What are the key properties of 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 279.51 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trichloroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 67261757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).