2-ethoxy-3-ethynyl-5-methylpyridine

C10H11NO — CID 74889629

IUPAC2-ethoxy-3-ethynyl-5-methylpyridine
SMILESC#Cc1cc(C)cnc1OCC
InChIInChI=1S/C10H11NO/c1-4-9-6-8(3)7-11-10(9)12-5-2/h1,6-7H,5H2,2-3H3
InChIKeyDKTDAIJDPGXEIQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.77
Rot. Bonds2

About 2-ethoxy-3-ethynyl-5-methylpyridine

2-ethoxy-3-ethynyl-5-methylpyridine (PubChem CID 74889629) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-ethoxy-3-ethynyl-5-methylpyridine.

Molecular Properties

Compound Name2-ethoxy-3-ethynyl-5-methylpyridine
PubChem CID74889629
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-ethoxy-3-ethynyl-5-methylpyridine
SMILESC#Cc1cc(C)cnc1OCC
InChIInChI=1S/C10H11NO/c1-4-9-6-8(3)7-11-10(9)12-5-2/h1,6-7H,5H2,2-3H3
InChIKeyDKTDAIJDPGXEIQ-UHFFFAOYSA-N
XLogP1.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxy-3-ethynyl-5-methylpyridine?
The IUPAC name of 2-ethoxy-3-ethynyl-5-methylpyridine (CID 74889629) is 2-ethoxy-3-ethynyl-5-methylpyridine.
What is the SMILES notation for 2-ethoxy-3-ethynyl-5-methylpyridine?
The canonical SMILES for 2-ethoxy-3-ethynyl-5-methylpyridine is C#Cc1cc(C)cnc1OCC.
What is the InChIKey of 2-ethoxy-3-ethynyl-5-methylpyridine?
The InChIKey is DKTDAIJDPGXEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-4-9-6-8(3)7-11-10(9)12-5-2/h1,6-7H,5H2,2-3H3.
What are the key properties of 2-ethoxy-3-ethynyl-5-methylpyridine?
2-ethoxy-3-ethynyl-5-methylpyridine has a molecular weight of 161.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethynyl-5-methylpyridine is sourced from PubChem (CID 74889629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).