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

C9H14FNO2 — CID 130935353

IUPAC3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC=C(F)C1
InChIInChI=1S/C9H14FNO2/c1-7(5-9(12)13)11-4-2-3-8(10)6-11/h3,7H,2,4-6H2,1H3,(H,12,13)
InChIKeyXMXCNJBRJYGLMA-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.41
Rot. Bonds3

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

3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid (PubChem CID 130935353) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
PubChem CID130935353
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC=C(F)C1
InChIInChI=1S/C9H14FNO2/c1-7(5-9(12)13)11-4-2-3-8(10)6-11/h3,7H,2,4-6H2,1H3,(H,12,13)
InChIKeyXMXCNJBRJYGLMA-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid
CID 127007451
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid
CID 131010588
2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
CID 131091790
2,2-Difluoro-3-(5-methyl-1,2,3,6-tetrahydropyridin-1-yl)propanoic acid
CID 165466454
2,2-Difluoro-3-(5-fluoro-1,2,3,6-tetrahydropyridin-1-yl)propanoic acid
CID 165466912
2,2-Difluoro-3-(1,2,3,6-tetrahydropyridin-1-yl)propanoic acid
CID 165832596
3-(3,6-dihydro-2H-pyridin-1-yl)propanoic acid
CID 82364064
2-(1-ethyl-2H-pyridin-2-yl)acetic acid
CID 158436884
3-[But-3-en-2-yl(ethyl)amino]butanoic acid
CID 62828162
3-[Cyclohex-2-en-1-yl(ethyl)amino]butanoic acid
CID 114620422
3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
CID 127020565
3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 130847053

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid (CID 130935353) is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid.
What is the SMILES notation for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The canonical SMILES for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid is CC(CC(=O)O)N1CCC=C(F)C1.
What is the InChIKey of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The InChIKey is XMXCNJBRJYGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7(5-9(12)13)11-4-2-3-8(10)6-11/h3,7H,2,4-6H2,1H3,(H,12,13).
What are the key properties of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid has a molecular weight of 187.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid is sourced from PubChem (CID 130935353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).