2-(2,4-dimethylphenyl)-5-ethynylpyridine

C15H13N — CID 175646938

IUPAC2-(2,4-dimethylphenyl)-5-ethynylpyridine
SMILESC#Cc1ccc(-c2ccc(C)cc2C)nc1
InChIInChI=1S/C15H13N/c1-4-13-6-8-15(16-10-13)14-7-5-11(2)9-12(14)3/h1,5-10H,2-3H3
InChIKeyLDHUSHUGYUSXGO-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.35
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-5-ethynylpyridine

2-(2,4-dimethylphenyl)-5-ethynylpyridine (PubChem CID 175646938) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-ethynylpyridine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-ethynylpyridine
PubChem CID175646938
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name2-(2,4-dimethylphenyl)-5-ethynylpyridine
SMILESC#Cc1ccc(-c2ccc(C)cc2C)nc1
InChIInChI=1S/C15H13N/c1-4-13-6-8-15(16-10-13)14-7-5-11(2)9-12(14)3/h1,5-10H,2-3H3
InChIKeyLDHUSHUGYUSXGO-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.35
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-(2,3-dimethylphenyl)-5-ethynylpyridine
CID 175646937
2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
CID 175646944
2-(4-ethynylphenyl)-5-methylpyridine
CID 139035898
5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 175646954
2-(5-ethynyl-2-pyridinyl)aniline
CID 87445058
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
2-(3,5-difluorophenyl)-5-ethynylpyridine
CID 175646962
3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
CID 170184396
6-(2,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
CID 176948420
[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
CID 169038830
2-(2,4-dimethylphenyl)-4-fluoropyridine
CID 102824457
2-bromo-4-(2,4-dimethylphenyl)pyrimidine
CID 116904235

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-ethynylpyridine?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-ethynylpyridine (CID 175646938) is 2-(2,4-dimethylphenyl)-5-ethynylpyridine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-ethynylpyridine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-ethynylpyridine is C#Cc1ccc(-c2ccc(C)cc2C)nc1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-ethynylpyridine?
The InChIKey is LDHUSHUGYUSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-4-13-6-8-15(16-10-13)14-7-5-11(2)9-12(14)3/h1,5-10H,2-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-ethynylpyridine?
2-(2,4-dimethylphenyl)-5-ethynylpyridine has a molecular weight of 207.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-ethynylpyridine is sourced from PubChem (CID 175646938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).