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

C19H18FNO2 — CID 11209128

IUPAC1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccccc2)CC=C1c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-16-8-6-15(7-9-16)17-10-11-21(13-18(17)19(22)23)12-14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,23)
InChIKeyRMXGMEBVFHKFJH-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.43
Rot. Bonds4

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

1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid (PubChem CID 11209128) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid
PubChem CID11209128
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccccc2)CC=C1c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-16-8-6-15(7-9-16)17-10-11-21(13-18(17)19(22)23)12-14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,23)
InChIKeyRMXGMEBVFHKFJH-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid (CID 11209128) is 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid is O=C(O)C1CN(Cc2ccccc2)CC=C1c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The InChIKey is RMXGMEBVFHKFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-16-8-6-15(7-9-16)17-10-11-21(13-18(17)19(22)23)12-14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,23).
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid?
1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 11209128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).