4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid

C13H14FNO3 — CID 68604670

IUPAC4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)C(c2cccc(F)c2)CC1O
InChIInChI=1S/C13H14FNO3/c1-15-7-11(13(17)18)10(6-12(15)16)8-3-2-4-9(14)5-8/h2-5,7,10,12,16H,6H2,1H3,(H,17,18)
InChIKeyUPNHEXXXKGUPFZ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.53
Rot. Bonds2

About 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid

4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 68604670) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID68604670
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)C(c2cccc(F)c2)CC1O
InChIInChI=1S/C13H14FNO3/c1-15-7-11(13(17)18)10(6-12(15)16)8-3-2-4-9(14)5-8/h2-5,7,10,12,16H,6H2,1H3,(H,17,18)
InChIKeyUPNHEXXXKGUPFZ-UHFFFAOYSA-N
XLogP1.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid (CID 68604670) is 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid is CN1C=C(C(=O)O)C(c2cccc(F)c2)CC1O.
What is the InChIKey of 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is UPNHEXXXKGUPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-15-7-11(13(17)18)10(6-12(15)16)8-3-2-4-9(14)5-8/h2-5,7,10,12,16H,6H2,1H3,(H,17,18).
What are the key properties of 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid?
4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 68604670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).