5-ethynyl-2-propylpyridine

C10H11N — CID 58235218

IUPAC5-ethynyl-2-propylpyridine
SMILESC#Cc1ccc(CCC)nc1
InChIInChI=1S/C10H11N/c1-3-5-10-7-6-9(4-2)8-11-10/h2,6-8H,3,5H2,1H3
InChIKeyQCWQWXGNQXWVRQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.02
Rot. Bonds2

About 5-ethynyl-2-propylpyridine

5-ethynyl-2-propylpyridine (PubChem CID 58235218) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-ethynyl-2-propylpyridine.

Molecular Properties

Compound Name5-ethynyl-2-propylpyridine
PubChem CID58235218
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name5-ethynyl-2-propylpyridine
SMILESC#Cc1ccc(CCC)nc1
InChIInChI=1S/C10H11N/c1-3-5-10-7-6-9(4-2)8-11-10/h2,6-8H,3,5H2,1H3
InChIKeyQCWQWXGNQXWVRQ-UHFFFAOYSA-N
XLogP2.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-propylpyridine?
The IUPAC name of 5-ethynyl-2-propylpyridine (CID 58235218) is 5-ethynyl-2-propylpyridine.
What is the SMILES notation for 5-ethynyl-2-propylpyridine?
The canonical SMILES for 5-ethynyl-2-propylpyridine is C#Cc1ccc(CCC)nc1.
What is the InChIKey of 5-ethynyl-2-propylpyridine?
The InChIKey is QCWQWXGNQXWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-3-5-10-7-6-9(4-2)8-11-10/h2,6-8H,3,5H2,1H3.
What are the key properties of 5-ethynyl-2-propylpyridine?
5-ethynyl-2-propylpyridine has a molecular weight of 145.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-propylpyridine is sourced from PubChem (CID 58235218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).