1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone

C9H7IN2O — CID 11266132

IUPAC1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ccc2c(I)ccnc21
InChIInChI=1S/C9H7IN2O/c1-6(13)12-5-3-7-8(10)2-4-11-9(7)12/h2-5H,1H3
InChIKeySDDUGTXURCFAKQ-UHFFFAOYSA-N
MW286.07 g/mol
LogP2.30
Rot. Bonds

About 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone

1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone (PubChem CID 11266132) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone
PubChem CID11266132
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ccc2c(I)ccnc21
InChIInChI=1S/C9H7IN2O/c1-6(13)12-5-3-7-8(10)2-4-11-9(7)12/h2-5H,1H3
InChIKeySDDUGTXURCFAKQ-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone (CID 11266132) is 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone is CC(=O)n1ccc2c(I)ccnc21.
What is the InChIKey of 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone?
The InChIKey is SDDUGTXURCFAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-6(13)12-5-3-7-8(10)2-4-11-9(7)12/h2-5H,1H3.
What are the key properties of 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone?
1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone has a molecular weight of 286.07 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 11266132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).