2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine

C15H13NO — CID 166638972

IUPAC2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine
SMILESC#Cc1ccc(OC)c(-c2ncccc2C)c1
InChIInChI=1S/C15H13NO/c1-4-12-7-8-14(17-3)13(10-12)15-11(2)6-5-9-16-15/h1,5-10H,2-3H3
InChIKeyVWZRTNSTBFWSGW-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.05
Rot. Bonds2

About 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine

2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine (PubChem CID 166638972) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine
PubChem CID166638972
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine
SMILESC#Cc1ccc(OC)c(-c2ncccc2C)c1
InChIInChI=1S/C15H13NO/c1-4-12-7-8-14(17-3)13(10-12)15-11(2)6-5-9-16-15/h1,5-10H,2-3H3
InChIKeyVWZRTNSTBFWSGW-UHFFFAOYSA-N
XLogP3.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.05
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-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine?
The IUPAC name of 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine (CID 166638972) is 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine.
What is the SMILES notation for 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine?
The canonical SMILES for 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine is C#Cc1ccc(OC)c(-c2ncccc2C)c1.
What is the InChIKey of 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine?
The InChIKey is VWZRTNSTBFWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-4-12-7-8-14(17-3)13(10-12)15-11(2)6-5-9-16-15/h1,5-10H,2-3H3.
What are the key properties of 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine?
2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine has a molecular weight of 223.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine is sourced from PubChem (CID 166638972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).