3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine

C14H18FNO2 — CID 126954115

IUPAC3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine
SMILESCc1cnc(OC2CC3(CCOCC3)C2)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-10-6-12(15)13(16-9-10)18-11-7-14(8-11)2-4-17-5-3-14/h6,9,11H,2-5,7-8H2,1H3
InChIKeyIRRVCFNATLHQNG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.87
Rot. Bonds2

About 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine

3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine (PubChem CID 126954115) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine
PubChem CID126954115
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine
SMILESCc1cnc(OC2CC3(CCOCC3)C2)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-10-6-12(15)13(16-9-10)18-11-7-14(8-11)2-4-17-5-3-14/h6,9,11H,2-5,7-8H2,1H3
InChIKeyIRRVCFNATLHQNG-UHFFFAOYSA-N
XLogP2.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine?
The IUPAC name of 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine (CID 126954115) is 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine.
What is the SMILES notation for 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine?
The canonical SMILES for 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine is Cc1cnc(OC2CC3(CCOCC3)C2)c(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine?
The InChIKey is IRRVCFNATLHQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-6-12(15)13(16-9-10)18-11-7-14(8-11)2-4-17-5-3-14/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine?
3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine has a molecular weight of 251.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine is sourced from PubChem (CID 126954115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).