2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid

C8H12FNO2 — CID 131091790

IUPAC2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC=C(F)C1
InChIInChI=1S/C8H12FNO2/c1-6(8(11)12)10-4-2-3-7(9)5-10/h3,6H,2,4-5H2,1H3,(H,11,12)
InChIKeyXYGKVLVQKIKTOT-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.02
Rot. Bonds2

About 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid

2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid (PubChem CID 131091790) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
PubChem CID131091790
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC=C(F)C1
InChIInChI=1S/C8H12FNO2/c1-6(8(11)12)10-4-2-3-7(9)5-10/h3,6H,2,4-5H2,1H3,(H,11,12)
InChIKeyXYGKVLVQKIKTOT-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The IUPAC name of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid (CID 131091790) is 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The canonical SMILES for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid is CC(C(=O)O)N1CCC=C(F)C1.
What is the InChIKey of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The InChIKey is XYGKVLVQKIKTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-6(8(11)12)10-4-2-3-7(9)5-10/h3,6H,2,4-5H2,1H3,(H,11,12).
What are the key properties of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid has a molecular weight of 173.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid is sourced from PubChem (CID 131091790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).