2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine

C17H17N — CID 144569411

IUPAC2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine
SMILESC=C/C=C\c1nc(-c2ccc(C)cc2)ccc1C
InChIInChI=1S/C17H17N/c1-4-5-6-16-14(3)9-12-17(18-16)15-10-7-13(2)8-11-15/h4-12H,1H2,2-3H3/b6-5-
InChIKeyVCTFEAMSJAEWTF-WAYWQWQTSA-N
MW235.33 g/mol
LogP4.56
Rot. Bonds3

About 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine

2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine (PubChem CID 144569411) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine
PubChem CID144569411
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine
SMILESC=C/C=C\c1nc(-c2ccc(C)cc2)ccc1C
InChIInChI=1S/C17H17N/c1-4-5-6-16-14(3)9-12-17(18-16)15-10-7-13(2)8-11-15/h4-12H,1H2,2-3H3/b6-5-
InChIKeyVCTFEAMSJAEWTF-WAYWQWQTSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine (CID 144569411) is 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine is C=C/C=C\c1nc(-c2ccc(C)cc2)ccc1C.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine?
The InChIKey is VCTFEAMSJAEWTF-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H17N/c1-4-5-6-16-14(3)9-12-17(18-16)15-10-7-13(2)8-11-15/h4-12H,1H2,2-3H3/b6-5-.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine?
2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine has a molecular weight of 235.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine is sourced from PubChem (CID 144569411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).