6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine

C9H11FN2 — CID 130189113

IUPAC6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCCN1Cc2ccc(F)nc2C1
InChIInChI=1S/C9H11FN2/c1-2-12-5-7-3-4-9(10)11-8(7)6-12/h3-4H,2,5-6H2,1H3
InChIKeyODQUIUGCJVDWHZ-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.56
Rot. Bonds1

About 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine

6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 130189113) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID130189113
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCCN1Cc2ccc(F)nc2C1
InChIInChI=1S/C9H11FN2/c1-2-12-5-7-3-4-9(10)11-8(7)6-12/h3-4H,2,5-6H2,1H3
InChIKeyODQUIUGCJVDWHZ-UHFFFAOYSA-N
XLogP1.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine (CID 130189113) is 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine is CCN1Cc2ccc(F)nc2C1.
What is the InChIKey of 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is ODQUIUGCJVDWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-2-12-5-7-3-4-9(10)11-8(7)6-12/h3-4H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine?
6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 166.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 130189113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).