4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine

C23H20ClFN2 — CID 70353174

IUPAC4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)ccn2)cc1
InChIInChI=1S/C23H20ClFN2/c24-21-5-1-18(2-6-21)19-10-13-27(14-11-19)16-17-9-12-26-23(15-17)20-3-7-22(25)8-4-20/h1-10,12,15H,11,13-14,16H2
InChIKeyGVZULIYCZIZTQE-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.83
Rot. Bonds4

About 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine

4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine (PubChem CID 70353174) has the molecular formula C23H20ClFN2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine
PubChem CID70353174
Molecular FormulaC23H20ClFN2
Molecular Weight378.88 g/mol
Exact Mass378.13
IUPAC Name4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)ccn2)cc1
InChIInChI=1S/C23H20ClFN2/c24-21-5-1-18(2-6-21)19-10-13-27(14-11-19)16-17-9-12-26-23(15-17)20-3-7-22(25)8-4-20/h1-10,12,15H,11,13-14,16H2
InChIKeyGVZULIYCZIZTQE-UHFFFAOYSA-N
XLogP5.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine?
The IUPAC name of 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine (CID 70353174) is 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine is Fc1ccc(-c2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)ccn2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine?
The InChIKey is GVZULIYCZIZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2/c24-21-5-1-18(2-6-21)19-10-13-27(14-11-19)16-17-9-12-26-23(15-17)20-3-7-22(25)8-4-20/h1-10,12,15H,11,13-14,16H2.
What are the key properties of 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine?
4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine has a molecular weight of 378.88 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-(4-fluorophenyl)pyridine is sourced from PubChem (CID 70353174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).