5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride

C6H9ClFNO2 — CID 138991141

IUPAC5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=C(F)CNCC1
InChIInChI=1S/C6H8FNO2.ClH/c7-5-3-8-2-1-4(5)6(9)10;/h8H,1-3H2,(H,9,10);1H
InChIKeyNTHIKRZKVCFTAM-UHFFFAOYSA-N
MW181.59 g/mol
LogP0.71
Rot. Bonds1

About 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride

5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride (PubChem CID 138991141) has the molecular formula C6H9ClFNO2 and a molecular weight of 181.59 g/mol. Its IUPAC name is 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride
PubChem CID138991141
Molecular FormulaC6H9ClFNO2
Molecular Weight181.59 g/mol
Exact Mass181.03
IUPAC Name5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=C(F)CNCC1
InChIInChI=1S/C6H8FNO2.ClH/c7-5-3-8-2-1-4(5)6(9)10;/h8H,1-3H2,(H,9,10);1H
InChIKeyNTHIKRZKVCFTAM-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.59
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride (CID 138991141) is 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1=C(F)CNCC1.
What is the InChIKey of 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride?
The InChIKey is NTHIKRZKVCFTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2.ClH/c7-5-3-8-2-1-4(5)6(9)10;/h8H,1-3H2,(H,9,10);1H.
What are the key properties of 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride?
5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride has a molecular weight of 181.59 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 138991141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).