2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine

C18H19N — CID 19983934

IUPAC2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine
SMILESCCCCc1ccc(C#Cc2ccc(C)cn2)cc1
InChIInChI=1S/C18H19N/c1-3-4-5-16-7-9-17(10-8-16)11-13-18-12-6-15(2)14-19-18/h6-10,12,14H,3-5H2,1-2H3
InChIKeyGZTBCLWAEQJKQP-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.13
Rot. Bonds3

About 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine

2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine (PubChem CID 19983934) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine
PubChem CID19983934
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine
SMILESCCCCc1ccc(C#Cc2ccc(C)cn2)cc1
InChIInChI=1S/C18H19N/c1-3-4-5-16-7-9-17(10-8-16)11-13-18-12-6-15(2)14-19-18/h6-10,12,14H,3-5H2,1-2H3
InChIKeyGZTBCLWAEQJKQP-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-butylphenyl)ethynyl]-5-hexylpyridine
CID 19985049
2-[2-(4-butoxyphenyl)ethynyl]-5-methylpyridine
CID 19983985
5-octyl-2-[2-(4-propylphenyl)ethynyl]pyridine
CID 19984715
5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine
CID 173394270
2-[2-(4-butylphenyl)ethynyl]-5-heptoxypyridine
CID 19984473
5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine
CID 19984898
5-butyl-2-[2-(4-hexoxyphenyl)ethynyl]pyridine
CID 19984218
3-[2-(4-butylphenyl)ethynyl]-6-methylpyridazine
CID 19984978
1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 19899706
5-heptoxy-2-[2-(4-pentylphenyl)ethynyl]pyridine
CID 19983962
2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine
CID 19984964
1-[2-(4-decylphenyl)ethynyl]-4-[2-(4-hexylphenyl)ethynyl]benzene
CID 19790521

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine?
The IUPAC name of 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine (CID 19983934) is 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine?
The canonical SMILES for 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine is CCCCc1ccc(C#Cc2ccc(C)cn2)cc1.
What is the InChIKey of 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine?
The InChIKey is GZTBCLWAEQJKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-4-5-16-7-9-17(10-8-16)11-13-18-12-6-15(2)14-19-18/h6-10,12,14H,3-5H2,1-2H3.
What are the key properties of 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine?
2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine has a molecular weight of 249.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine is sourced from PubChem (CID 19983934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).