2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

C13H15FN2 — CID 123536011

IUPAC2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESFc1ccc(C2CC3CNCCC3=N2)cc1
InChIInChI=1S/C13H15FN2/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13/h1-4,10,13,15H,5-8H2
InChIKeyXKTGUQDOQICFAV-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.32
Rot. Bonds1

About 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (PubChem CID 123536011) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
PubChem CID123536011
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESFc1ccc(C2CC3CNCCC3=N2)cc1
InChIInChI=1S/C13H15FN2/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13/h1-4,10,13,15H,5-8H2
InChIKeyXKTGUQDOQICFAV-UHFFFAOYSA-N
XLogP2.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (CID 123536011) is 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is Fc1ccc(C2CC3CNCCC3=N2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is XKTGUQDOQICFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13/h1-4,10,13,15H,5-8H2.
What are the key properties of 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine has a molecular weight of 218.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123536011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).