3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one

C9H7F2N3O2 — CID 137228163

IUPAC3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2C1=NOCC(F)F
InChIInChI=1S/C9H7F2N3O2/c10-6(11)4-16-14-7-5-2-1-3-12-8(5)13-9(7)15/h1-3,6H,4H2,(H,12,13,14,15)
InChIKeyMWAXANJUVFZKSN-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.02
Rot. Bonds3

About 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one

3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 137228163) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID137228163
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Name3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2C1=NOCC(F)F
InChIInChI=1S/C9H7F2N3O2/c10-6(11)4-16-14-7-5-2-1-3-12-8(5)13-9(7)15/h1-3,6H,4H2,(H,12,13,14,15)
InChIKeyMWAXANJUVFZKSN-UHFFFAOYSA-N
XLogP1.02
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one (CID 137228163) is 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2ncccc2C1=NOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is MWAXANJUVFZKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c10-6(11)4-16-14-7-5-2-1-3-12-8(5)13-9(7)15/h1-3,6H,4H2,(H,12,13,14,15).
What are the key properties of 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one?
3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 227.17 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxyimino)-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 137228163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).