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

C6H10FN — CID 166830732

IUPAC5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CN=CC(F)C1
InChIInChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h4-6H,2-3H2,1H3
InChIKeyCXVRQIQOZUNENX-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.44
Rot. Bonds

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

5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 166830732) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine
PubChem CID166830732
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CN=CC(F)C1
InChIInChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h4-6H,2-3H2,1H3
InChIKeyCXVRQIQOZUNENX-UHFFFAOYSA-N
XLogP1.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine (CID 166830732) is 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine is CC1CN=CC(F)C1.
What is the InChIKey of 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is CXVRQIQOZUNENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h4-6H,2-3H2,1H3.
What are the key properties of 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine?
5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 166830732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).