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

C23H20ClFN2 — CID 70353115

IUPAC2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cccc(CN3CC=C(c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C23H20ClFN2/c24-20-8-4-17(5-9-20)18-12-14-27(15-13-18)16-22-2-1-3-23(26-22)19-6-10-21(25)11-7-19/h1-12H,13-16H2
InChIKeyBIHHGLRWCHHFEC-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.83
Rot. Bonds4

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

2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine (PubChem CID 70353115) has the molecular formula C23H20ClFN2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine
PubChem CID70353115
Molecular FormulaC23H20ClFN2
Molecular Weight378.88 g/mol
Exact Mass378.13
IUPAC Name2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cccc(CN3CC=C(c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C23H20ClFN2/c24-20-8-4-17(5-9-20)18-12-14-27(15-13-18)16-22-2-1-3-23(26-22)19-6-10-21(25)11-7-19/h1-12H,13-16H2
InChIKeyBIHHGLRWCHHFEC-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-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine?
The IUPAC name of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine (CID 70353115) is 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine is Fc1ccc(-c2cccc(CN3CC=C(c4ccc(Cl)cc4)CC3)n2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine?
The InChIKey is BIHHGLRWCHHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2/c24-20-8-4-17(5-9-20)18-12-14-27(15-13-18)16-22-2-1-3-23(26-22)19-6-10-21(25)11-7-19/h1-12H,13-16H2.
What are the key properties of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine?
2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(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 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine is sourced from PubChem (CID 70353115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).