2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

C13H13FN2 — CID 28815384

IUPAC2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESFc1ccc(-c2cc3c([nH]2)CCNC3)cc1
InChIInChI=1S/C13H13FN2/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13/h1-4,7,15-16H,5-6,8H2
InChIKeyMMTGOTIFAUHLFG-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.47
Rot. Bonds1

About 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 28815384) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID28815384
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESFc1ccc(-c2cc3c([nH]2)CCNC3)cc1
InChIInChI=1S/C13H13FN2/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13/h1-4,7,15-16H,5-6,8H2
InChIKeyMMTGOTIFAUHLFG-UHFFFAOYSA-N
XLogP2.47
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (CID 28815384) is 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is Fc1ccc(-c2cc3c([nH]2)CCNC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is MMTGOTIFAUHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13/h1-4,7,15-16H,5-6,8H2.
What are the key properties of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 216.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 28815384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).