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

C23H20ClFN2 — CID 70353103

IUPAC2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine
SMILESFc1ccc(C2=CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C23H20ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-10,12,15H,11,13-14,16H2
InChIKeyYQERESDIZXWEMD-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.83
Rot. Bonds4

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

2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine (PubChem CID 70353103) has the molecular formula C23H20ClFN2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine
PubChem CID70353103
Molecular FormulaC23H20ClFN2
Molecular Weight378.88 g/mol
Exact Mass378.13
IUPAC Name2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine
SMILESFc1ccc(C2=CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C23H20ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-10,12,15H,11,13-14,16H2
InChIKeyYQERESDIZXWEMD-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 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine (CID 70353103) is 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine is Fc1ccc(C2=CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine?
The InChIKey is YQERESDIZXWEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-10,12,15H,11,13-14,16H2.
What are the key properties of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine?
2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]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 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyridine is sourced from PubChem (CID 70353103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).