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

C9H14FNO2 — CID 127007451

IUPAC3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid
SMILESCC(CN1CCC=C(F)C1)C(=O)O
InChIInChI=1S/C9H14FNO2/c1-7(9(12)13)5-11-4-2-3-8(10)6-11/h3,7H,2,4-6H2,1H3,(H,12,13)
InChIKeyJUQUBSFBNORAAL-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.27
Rot. Bonds3

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

3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid (PubChem CID 127007451) 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)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid
PubChem CID127007451
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid
SMILESCC(CN1CCC=C(F)C1)C(=O)O
InChIInChI=1S/C9H14FNO2/c1-7(9(12)13)5-11-4-2-3-8(10)6-11/h3,7H,2,4-6H2,1H3,(H,12,13)
InChIKeyJUQUBSFBNORAAL-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-fluoro-3-methyl-2,6-dihydropyridine-1,3-dicarboxylic acid
CID 175525632
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 130935353
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid
CID 131010588
1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid
CID 143545233
1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid
CID 143545250
1-[(6-Fluoro-4-methylidenecyclohexa-1,5-dien-1-yl)methyl]azetidine-3-carboxylic acid
CID 144040610
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
2,2-Difluoro-3-(4-methyl-1,2,3,6-tetrahydropyridin-1-yl)propanoic acid
CID 165837793
1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 13032587
1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 67895063

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid (CID 127007451) is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid is CC(CN1CCC=C(F)C1)C(=O)O.
What is the InChIKey of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid?
The InChIKey is JUQUBSFBNORAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7(9(12)13)5-11-4-2-3-8(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)-2-methylpropanoic acid?
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid has a molecular weight of 187.21 g/mol, XLogP of 1.27, 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)-2-methylpropanoic acid is sourced from PubChem (CID 127007451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).