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

C17H15N3O2 — CID 46837512

IUPAC3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESO=[N+]([O-])c1cccc(/C=C2\CCCN=C2c2cccnc2)c1
InChIInChI=1S/C17H15N3O2/c21-20(22)16-7-1-4-13(11-16)10-14-5-3-9-19-17(14)15-6-2-8-18-12-15/h1-2,4,6-8,10-12H,3,5,9H2/b14-10+
InChIKeyYVOVKTCLMUMXGH-GXDHUFHOSA-N
MW293.33 g/mol
LogP3.66
Rot. Bonds3

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

3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 46837512) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID46837512
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESO=[N+]([O-])c1cccc(/C=C2\CCCN=C2c2cccnc2)c1
InChIInChI=1S/C17H15N3O2/c21-20(22)16-7-1-4-13(11-16)10-14-5-3-9-19-17(14)15-6-2-8-18-12-15/h1-2,4,6-8,10-12H,3,5,9H2/b14-10+
InChIKeyYVOVKTCLMUMXGH-GXDHUFHOSA-N
XLogP3.66
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 46837512) is 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is O=[N+]([O-])c1cccc(/C=C2\CCCN=C2c2cccnc2)c1.
What is the InChIKey of 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is YVOVKTCLMUMXGH-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-20(22)16-7-1-4-13(11-16)10-14-5-3-9-19-17(14)15-6-2-8-18-12-15/h1-2,4,6-8,10-12H,3,5,9H2/b14-10+.
What are the key properties of 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 293.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 46837512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).