5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid

C6H8FNO2 — CID 151270020

IUPAC5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid
SMILESO=C(O)C1C=C(F)CNC1
InChIInChI=1S/C6H8FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1,4,8H,2-3H2,(H,9,10)
InChIKeyNWDUHGYSZSDJPX-UHFFFAOYSA-N
MW145.13 g/mol
LogP0.14
Rot. Bonds1

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

5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid (PubChem CID 151270020) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is 5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid
PubChem CID151270020
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid
SMILESO=C(O)C1C=C(F)CNC1
InChIInChI=1S/C6H8FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1,4,8H,2-3H2,(H,9,10)
InChIKeyNWDUHGYSZSDJPX-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 50.14
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-3-carboxylic acid?
The IUPAC name of 5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid (CID 151270020) is 5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid is O=C(O)C1C=C(F)CNC1.
What is the InChIKey of 5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid?
The InChIKey is NWDUHGYSZSDJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1,4,8H,2-3H2,(H,9,10).
What are the key properties of 5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid?
5-fluoro-1,2,3,6-tetrahydropyridine-3-carboxylic acid has a molecular weight of 145.13 g/mol, XLogP of 0.14, 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-3-carboxylic acid is sourced from PubChem (CID 151270020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).