2,4-bis(prop-1-ynyl)pyridine

C11H9N — CID 22058395

IUPAC2,4-bis(prop-1-ynyl)pyridine
SMILESCC#Cc1ccnc(C#CC)c1
InChIInChI=1S/C11H9N/c1-3-5-10-7-8-12-11(9-10)6-4-2/h7-9H,1-2H3
InChIKeyHNJXPQVJWHJUMJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.82
Rot. Bonds

About 2,4-bis(prop-1-ynyl)pyridine

2,4-bis(prop-1-ynyl)pyridine (PubChem CID 22058395) has the molecular formula C11H9N and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,4-bis(prop-1-ynyl)pyridine.

Molecular Properties

Compound Name2,4-bis(prop-1-ynyl)pyridine
PubChem CID22058395
Molecular FormulaC11H9N
Molecular Weight155.20 g/mol
Exact Mass155.07
IUPAC Name2,4-bis(prop-1-ynyl)pyridine
SMILESCC#Cc1ccnc(C#CC)c1
InChIInChI=1S/C11H9N/c1-3-5-10-7-8-12-11(9-10)6-4-2/h7-9H,1-2H3
InChIKeyHNJXPQVJWHJUMJ-UHFFFAOYSA-N
XLogP1.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.82
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 2,4-bis(prop-1-ynyl)pyridine?
The IUPAC name of 2,4-bis(prop-1-ynyl)pyridine (CID 22058395) is 2,4-bis(prop-1-ynyl)pyridine.
What is the SMILES notation for 2,4-bis(prop-1-ynyl)pyridine?
The canonical SMILES for 2,4-bis(prop-1-ynyl)pyridine is CC#Cc1ccnc(C#CC)c1.
What is the InChIKey of 2,4-bis(prop-1-ynyl)pyridine?
The InChIKey is HNJXPQVJWHJUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N/c1-3-5-10-7-8-12-11(9-10)6-4-2/h7-9H,1-2H3.
What are the key properties of 2,4-bis(prop-1-ynyl)pyridine?
2,4-bis(prop-1-ynyl)pyridine has a molecular weight of 155.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-1-ynyl)pyridine is sourced from PubChem (CID 22058395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).