4-(2-cyclopropylethynyl)pyridine

C10H9N — CID 122242573

IUPAC4-(2-cyclopropylethynyl)pyridine
SMILESC(#CC1CC1)c1ccncc1
InChIInChI=1S/C10H9N/c1-2-9(1)3-4-10-5-7-11-8-6-10/h5-9H,1-2H2
InChIKeyTYFMISVFWQYICH-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.84
Rot. Bonds

About 4-(2-cyclopropylethynyl)pyridine

4-(2-cyclopropylethynyl)pyridine (PubChem CID 122242573) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(2-cyclopropylethynyl)pyridine.

Molecular Properties

Compound Name4-(2-cyclopropylethynyl)pyridine
PubChem CID122242573
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name4-(2-cyclopropylethynyl)pyridine
SMILESC(#CC1CC1)c1ccncc1
InChIInChI=1S/C10H9N/c1-2-9(1)3-4-10-5-7-11-8-6-10/h5-9H,1-2H2
InChIKeyTYFMISVFWQYICH-UHFFFAOYSA-N
XLogP1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.84
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 4-(2-cyclopropylethynyl)pyridine?
The IUPAC name of 4-(2-cyclopropylethynyl)pyridine (CID 122242573) is 4-(2-cyclopropylethynyl)pyridine.
What is the SMILES notation for 4-(2-cyclopropylethynyl)pyridine?
The canonical SMILES for 4-(2-cyclopropylethynyl)pyridine is C(#CC1CC1)c1ccncc1.
What is the InChIKey of 4-(2-cyclopropylethynyl)pyridine?
The InChIKey is TYFMISVFWQYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-9(1)3-4-10-5-7-11-8-6-10/h5-9H,1-2H2.
What are the key properties of 4-(2-cyclopropylethynyl)pyridine?
4-(2-cyclopropylethynyl)pyridine has a molecular weight of 143.19 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethynyl)pyridine is sourced from PubChem (CID 122242573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).