3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one

C9H8FN3O2 — CID 136601476

IUPAC3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one
SMILESO=C1Nc2cnccc2C1=NOCCF
InChIInChI=1S/C9H8FN3O2/c10-2-4-15-13-8-6-1-3-11-5-7(6)12-9(8)14/h1,3,5H,2,4H2,(H,12,13,14)
InChIKeyCMXHXJIWNHMKPI-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.72
Rot. Bonds3

About 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one

3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one (PubChem CID 136601476) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one
PubChem CID136601476
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one
SMILESO=C1Nc2cnccc2C1=NOCCF
InChIInChI=1S/C9H8FN3O2/c10-2-4-15-13-8-6-1-3-11-5-7(6)12-9(8)14/h1,3,5H,2,4H2,(H,12,13,14)
InChIKeyCMXHXJIWNHMKPI-UHFFFAOYSA-N
XLogP0.72
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11014912, Example 4
CID 141757255
6-(Trifluoromethyl)-1,3-dihydro-2H-pyrrolo[3,2-b]pyridin-2-one
CID 10608156
1H-Pyrrolo[2,3-C]pyridin-2(3H)-one
CID 11643933
1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one hydrochloride
CID 21956227
(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
CID 154876031
7-chloro-1H-pyrrolo[2,3-c]pyridin-2(3H)-one
CID 10749642
3-Ethyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 11686956
2-oxo-1H,2H,3H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 72211821
3-Benzyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 11521432
3-Methyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 11615190
1-Methyl-1H-pyrrolo[2,3-c]pyridin-2(3H)-one
CID 14930928
N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide
CID 164631053

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one (CID 136601476) is 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one is O=C1Nc2cnccc2C1=NOCCF.
What is the InChIKey of 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one?
The InChIKey is CMXHXJIWNHMKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-2-4-15-13-8-6-1-3-11-5-7(6)12-9(8)14/h1,3,5H,2,4H2,(H,12,13,14).
What are the key properties of 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one?
3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one has a molecular weight of 209.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxyimino)-1H-pyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 136601476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).