2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine

C17H17ClN2 — CID 23435960

IUPAC2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine
SMILESClc1cccc(C2=CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H17ClN2/c18-17-8-4-7-16(19-17)15-9-11-20(12-10-15)13-14-5-2-1-3-6-14/h1-9H,10-13H2
InChIKeyRPSRZPOMRDDSPQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.02
Rot. Bonds3

About 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine (PubChem CID 23435960) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine.

Molecular Properties

Compound Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine
PubChem CID23435960
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine
SMILESClc1cccc(C2=CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H17ClN2/c18-17-8-4-7-16(19-17)15-9-11-20(12-10-15)13-14-5-2-1-3-6-14/h1-9H,10-13H2
InChIKeyRPSRZPOMRDDSPQ-UHFFFAOYSA-N
XLogP4.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine?
The IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine (CID 23435960) is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine.
What is the SMILES notation for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine?
The canonical SMILES for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine is Clc1cccc(C2=CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine?
The InChIKey is RPSRZPOMRDDSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-17-8-4-7-16(19-17)15-9-11-20(12-10-15)13-14-5-2-1-3-6-14/h1-9H,10-13H2.
What are the key properties of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine?
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine has a molecular weight of 284.79 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine is sourced from PubChem (CID 23435960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).