2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine

C13H15NO — CID 143408630

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine
SMILESC=C/C=C\C(=C/C)Oc1ccc(C)cn1
InChIInChI=1S/C13H15NO/c1-4-6-7-12(5-2)15-13-9-8-11(3)10-14-13/h4-10H,1H2,2-3H3/b7-6-,12-5+
InChIKeyYXLFUHHJPWXXAP-BZNMCICSSA-N
MW201.27 g/mol
LogP3.41
Rot. Bonds4

About 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine

2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine (PubChem CID 143408630) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine
PubChem CID143408630
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine
SMILESC=C/C=C\C(=C/C)Oc1ccc(C)cn1
InChIInChI=1S/C13H15NO/c1-4-6-7-12(5-2)15-13-9-8-11(3)10-14-13/h4-10H,1H2,2-3H3/b7-6-,12-5+
InChIKeyYXLFUHHJPWXXAP-BZNMCICSSA-N
XLogP3.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine (CID 143408630) is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine is C=C/C=C\C(=C/C)Oc1ccc(C)cn1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine?
The InChIKey is YXLFUHHJPWXXAP-BZNMCICSSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-6-7-12(5-2)15-13-9-8-11(3)10-14-13/h4-10H,1H2,2-3H3/b7-6-,12-5+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine?
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine has a molecular weight of 201.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine is sourced from PubChem (CID 143408630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).