4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride

C5H9ClFN — CID 21192568

IUPAC4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.FC1=CCNCC1
InChIInChI=1S/C5H8FN.ClH/c6-5-1-3-7-4-2-5;/h1,7H,2-4H2;1H
InChIKeyMLGZLLMRDYLPET-UHFFFAOYSA-N
MW137.59 g/mol
LogP1.25
Rot. Bonds

About 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride

4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 21192568) has the molecular formula C5H9ClFN and a molecular weight of 137.59 g/mol. Its IUPAC name is 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID21192568
Molecular FormulaC5H9ClFN
Molecular Weight137.59 g/mol
Exact Mass137.04
IUPAC Name4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.FC1=CCNCC1
InChIInChI=1S/C5H8FN.ClH/c6-5-1-3-7-4-2-5;/h1,7H,2-4H2;1H
InChIKeyMLGZLLMRDYLPET-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.59
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride (CID 21192568) is 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.FC1=CCNCC1.
What is the InChIKey of 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is MLGZLLMRDYLPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN.ClH/c6-5-1-3-7-4-2-5;/h1,7H,2-4H2;1H.
What are the key properties of 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride?
4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 137.59 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 21192568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).