5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine

C6H10FN — CID 89243573

IUPAC5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=C(F)CNCC1
InChIInChI=1S/C6H10FN/c1-5-2-3-8-4-6(5)7/h8H,2-4H2,1H3
InChIKeyLEQIZPZTVBPHPB-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.22
Rot. Bonds

About 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine

5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 89243573) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine
PubChem CID89243573
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=C(F)CNCC1
InChIInChI=1S/C6H10FN/c1-5-2-3-8-4-6(5)7/h8H,2-4H2,1H3
InChIKeyLEQIZPZTVBPHPB-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine (CID 89243573) is 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine is CC1=C(F)CNCC1.
What is the InChIKey of 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is LEQIZPZTVBPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-2-3-8-4-6(5)7/h8H,2-4H2,1H3.
What are the key properties of 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine?
5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89243573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).