1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine

C11H12ClN — CID 69383232

IUPAC1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
SMILESClc1ccc(N2CC=CCC2)cc1
InChIInChI=1S/C11H12ClN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h1-2,4-7H,3,8-9H2
InChIKeyMFIGKDGJAPWVHN-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.11
Rot. Bonds1

About 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine

1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 69383232) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID69383232
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
SMILESClc1ccc(N2CC=CCC2)cc1
InChIInChI=1S/C11H12ClN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h1-2,4-7H,3,8-9H2
InChIKeyMFIGKDGJAPWVHN-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine (CID 69383232) is 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine is Clc1ccc(N2CC=CCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MFIGKDGJAPWVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h1-2,4-7H,3,8-9H2.
What are the key properties of 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine?
1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 193.68 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 69383232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).