4-ethyl-2-methylpyridine;prop-1-yne

C11H15N — CID 143061830

IUPAC4-ethyl-2-methylpyridine;prop-1-yne
SMILESC#CC.CCc1ccnc(C)c1
InChIInChI=1S/C8H11N.C3H4/c1-3-8-4-5-9-7(2)6-8;1-3-2/h4-6H,3H2,1-2H3;1H,2H3
InChIKeyPDQPXACRUKRJMC-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.59
Rot. Bonds1

About 4-ethyl-2-methylpyridine;prop-1-yne

4-ethyl-2-methylpyridine;prop-1-yne (PubChem CID 143061830) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-ethyl-2-methylpyridine;prop-1-yne.

Molecular Properties

Compound Name4-ethyl-2-methylpyridine;prop-1-yne
PubChem CID143061830
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-ethyl-2-methylpyridine;prop-1-yne
SMILESC#CC.CCc1ccnc(C)c1
InChIInChI=1S/C8H11N.C3H4/c1-3-8-4-5-9-7(2)6-8;1-3-2/h4-6H,3H2,1-2H3;1H,2H3
InChIKeyPDQPXACRUKRJMC-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.59
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

Nicotine
CID 89594
Paraquat dichloride
CID 15938
Ethionamide
CID 2761171
3-Methylpyridine
CID 7970
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
Prothionamide
CID 666418
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
2-Methylpyridine
CID 7975
Myosmine
CID 442649

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylpyridine;prop-1-yne?
The IUPAC name of 4-ethyl-2-methylpyridine;prop-1-yne (CID 143061830) is 4-ethyl-2-methylpyridine;prop-1-yne.
What is the SMILES notation for 4-ethyl-2-methylpyridine;prop-1-yne?
The canonical SMILES for 4-ethyl-2-methylpyridine;prop-1-yne is C#CC.CCc1ccnc(C)c1.
What is the InChIKey of 4-ethyl-2-methylpyridine;prop-1-yne?
The InChIKey is PDQPXACRUKRJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C3H4/c1-3-8-4-5-9-7(2)6-8;1-3-2/h4-6H,3H2,1-2H3;1H,2H3.
What are the key properties of 4-ethyl-2-methylpyridine;prop-1-yne?
4-ethyl-2-methylpyridine;prop-1-yne has a molecular weight of 161.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylpyridine;prop-1-yne is sourced from PubChem (CID 143061830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).