3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C17H15ClN2 — CID 11652097

IUPAC3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESClc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C17H15ClN2/c18-16-7-5-13(6-8-16)11-14-3-2-10-20-17(14)15-4-1-9-19-12-15/h1,4-9,11-12H,2-3,10H2/b14-11+
InChIKeyFHRGULLOLMXEBK-SDNWHVSQSA-N
MW282.77 g/mol
LogP4.40
Rot. Bonds2

About 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 11652097) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID11652097
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESClc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C17H15ClN2/c18-16-7-5-13(6-8-16)11-14-3-2-10-20-17(14)15-4-1-9-19-12-15/h1,4-9,11-12H,2-3,10H2/b14-11+
InChIKeyFHRGULLOLMXEBK-SDNWHVSQSA-N
XLogP4.40
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 11652097) is 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is Clc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is FHRGULLOLMXEBK-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-16-7-5-13(6-8-16)11-14-3-2-10-20-17(14)15-4-1-9-19-12-15/h1,4-9,11-12H,2-3,10H2/b14-11+.
What are the key properties of 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 282.77 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 11652097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).