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

C13H14FNO2 — CID 105496000

IUPAC6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)=CC1c1ccc(F)cc1
InChIInChI=1S/C13H14FNO2/c1-15-7-6-10(13(16)17)8-12(15)9-2-4-11(14)5-3-9/h2-5,8,12H,6-7H2,1H3,(H,16,17)
InChIKeyBIZOICVTSARGAO-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.21
Rot. Bonds2

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

6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 105496000) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID105496000
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)=CC1c1ccc(F)cc1
InChIInChI=1S/C13H14FNO2/c1-15-7-6-10(13(16)17)8-12(15)9-2-4-11(14)5-3-9/h2-5,8,12H,6-7H2,1H3,(H,16,17)
InChIKeyBIZOICVTSARGAO-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105492659
2-(4-fluorophenyl)-1-methylpyrrolidin-3-one
CID 83830352
1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105450847
4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
CID 66509723
(2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid
CID 173168868
1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 57364162
methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate
CID 54404104
2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 134583974
(2S,3R)-1-acetyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 56926799
(7S)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135763718
(2R,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 124709830
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 105496000) is 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is CN1CCC(C(=O)O)=CC1c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is BIZOICVTSARGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-15-7-6-10(13(16)17)8-12(15)9-2-4-11(14)5-3-9/h2-5,8,12H,6-7H2,1H3,(H,16,17).
What are the key properties of 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 105496000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).