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

C19H18FNO2 — CID 23146847

IUPAC1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=C(c2ccc(F)cc2)CN(Cc2ccccc2)CC1
InChIInChI=1S/C19H18FNO2/c20-16-8-6-15(7-9-16)18-13-21(11-10-17(18)19(22)23)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,23)
InChIKeyZJSRTBZFRMWWAH-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.57
Rot. Bonds4

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

1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 23146847) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID23146847
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=C(c2ccc(F)cc2)CN(Cc2ccccc2)CC1
InChIInChI=1S/C19H18FNO2/c20-16-8-6-15(7-9-16)18-13-21(11-10-17(18)19(22)23)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,23)
InChIKeyZJSRTBZFRMWWAH-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 23146847) is 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is O=C(O)C1=C(c2ccc(F)cc2)CN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is ZJSRTBZFRMWWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-16-8-6-15(7-9-16)18-13-21(11-10-17(18)19(22)23)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,23).
What are the key properties of 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 23146847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).