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

C23H21ClN2 — CID 57108240

IUPAC2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine
SMILESClc1ccc(C2=CCN(Cc3cccc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C23H21ClN2/c24-21-11-9-18(10-12-21)19-13-15-26(16-14-19)17-22-7-4-8-23(25-22)20-5-2-1-3-6-20/h1-13H,14-17H2
InChIKeyMXVMXFFGXQGGRV-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.69
Rot. Bonds4

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

2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine (PubChem CID 57108240) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine
PubChem CID57108240
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine
SMILESClc1ccc(C2=CCN(Cc3cccc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C23H21ClN2/c24-21-11-9-18(10-12-21)19-13-15-26(16-14-19)17-22-7-4-8-23(25-22)20-5-2-1-3-6-20/h1-13H,14-17H2
InChIKeyMXVMXFFGXQGGRV-UHFFFAOYSA-N
XLogP5.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.69
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-phenylpyridine?
The IUPAC name of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine (CID 57108240) is 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine is Clc1ccc(C2=CCN(Cc3cccc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine?
The InChIKey is MXVMXFFGXQGGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c24-21-11-9-18(10-12-21)19-13-15-26(16-14-19)17-22-7-4-8-23(25-22)20-5-2-1-3-6-20/h1-13H,14-17H2.
What are the key properties of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine?
2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine has a molecular weight of 360.89 g/mol, XLogP of 5.69, 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-phenylpyridine is sourced from PubChem (CID 57108240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).