2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine

C9H13FN2 — CID 145365347

IUPAC2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine
SMILESFC1C=CC=C(N2CCCC2)N1
InChIInChI=1S/C9H13FN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5,8,11H,1-2,6-7H2
InChIKeyFNBTWFYECRELFX-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.38
Rot. Bonds1

About 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine

2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine (PubChem CID 145365347) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine
PubChem CID145365347
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine
SMILESFC1C=CC=C(N2CCCC2)N1
InChIInChI=1S/C9H13FN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5,8,11H,1-2,6-7H2
InChIKeyFNBTWFYECRELFX-UHFFFAOYSA-N
XLogP1.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine?
The IUPAC name of 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine (CID 145365347) is 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine.
What is the SMILES notation for 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine?
The canonical SMILES for 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine is FC1C=CC=C(N2CCCC2)N1.
What is the InChIKey of 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine?
The InChIKey is FNBTWFYECRELFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5,8,11H,1-2,6-7H2.
What are the key properties of 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine?
2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine has a molecular weight of 168.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-pyrrolidin-1-yl-1,2-dihydropyridine is sourced from PubChem (CID 145365347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).