2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine

C13H16FNO — CID 59327192

IUPAC2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine
SMILESFc1ncccc1C1CCC2(CCO2)CC1
InChIInChI=1S/C13H16FNO/c14-12-11(2-1-8-15-12)10-3-5-13(6-4-10)7-9-16-13/h1-2,8,10H,3-7,9H2
InChIKeyAMGKYRQFYKRNSB-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.04
Rot. Bonds1

About 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine

2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine (PubChem CID 59327192) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine
PubChem CID59327192
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine
SMILESFc1ncccc1C1CCC2(CCO2)CC1
InChIInChI=1S/C13H16FNO/c14-12-11(2-1-8-15-12)10-3-5-13(6-4-10)7-9-16-13/h1-2,8,10H,3-7,9H2
InChIKeyAMGKYRQFYKRNSB-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.04
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 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine?
The IUPAC name of 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine (CID 59327192) is 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine.
What is the SMILES notation for 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine?
The canonical SMILES for 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine is Fc1ncccc1C1CCC2(CCO2)CC1.
What is the InChIKey of 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine?
The InChIKey is AMGKYRQFYKRNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-11(2-1-8-15-12)10-3-5-13(6-4-10)7-9-16-13/h1-2,8,10H,3-7,9H2.
What are the key properties of 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine?
2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine has a molecular weight of 221.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine is sourced from PubChem (CID 59327192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).