5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

C13H14FNO2 — CID 105496008

IUPAC5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)=C(c2ccccc2F)C1
InChIInChI=1S/C13H14FNO2/c1-15-7-6-10(13(16)17)11(8-15)9-4-2-3-5-12(9)14/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyWYAVRZFKRNZCBC-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.00
Rot. Bonds2

About 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 105496008) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID105496008
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)=C(c2ccccc2F)C1
InChIInChI=1S/C13H14FNO2/c1-15-7-6-10(13(16)17)11(8-15)9-4-2-3-5-12(9)14/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyWYAVRZFKRNZCBC-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 105496008) is 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is CN1CCC(C(=O)O)=C(c2ccccc2F)C1.
What is the InChIKey of 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is WYAVRZFKRNZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-15-7-6-10(13(16)17)11(8-15)9-4-2-3-5-12(9)14/h2-5H,6-8H2,1H3,(H,16,17).
What are the key properties of 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 105496008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).