3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine

C6H10FN — CID 147272614

IUPAC3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(F)CNC1
InChIInChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h2,6,8H,3-4H2,1H3
InChIKeyCQSPSPHCDVABIF-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.87
Rot. Bonds

About 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine

3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 147272614) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID147272614
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(F)CNC1
InChIInChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h2,6,8H,3-4H2,1H3
InChIKeyCQSPSPHCDVABIF-UHFFFAOYSA-N
XLogP0.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine (CID 147272614) is 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine is CC1=CC(F)CNC1.
What is the InChIKey of 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is CQSPSPHCDVABIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h2,6,8H,3-4H2,1H3.
What are the key properties of 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine?
3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 147272614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).