(3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine

C7H9FN2 — CID 126686839

IUPAC(3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
SMILESFC1=CNC2=NCC[C@H]2C1
InChIInChI=1S/C7H9FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h4-5H,1-3H2,(H,9,10)/t5-/m0/s1
InChIKeyJEIMIIMUJPPDQZ-YFKPBYRVSA-N
MW140.16 g/mol
LogP1.21
Rot. Bonds

About (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine

(3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine (PubChem CID 126686839) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name(3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
PubChem CID126686839
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name(3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
SMILESFC1=CNC2=NCC[C@H]2C1
InChIInChI=1S/C7H9FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h4-5H,1-3H2,(H,9,10)/t5-/m0/s1
InChIKeyJEIMIIMUJPPDQZ-YFKPBYRVSA-N
XLogP1.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The IUPAC name of (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine (CID 126686839) is (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine is FC1=CNC2=NCC[C@H]2C1.
What is the InChIKey of (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The InChIKey is JEIMIIMUJPPDQZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h4-5H,1-3H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
(3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine has a molecular weight of 140.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 126686839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).