5-ethynyl-2-methoxy-3-methylpyridine

C9H9NO — CID 71300062

IUPAC5-ethynyl-2-methoxy-3-methylpyridine
SMILESC#Cc1cnc(OC)c(C)c1
InChIInChI=1S/C9H9NO/c1-4-8-5-7(2)9(11-3)10-6-8/h1,5-6H,2-3H3
InChIKeyCFCJMAFXIGZJNP-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.38
Rot. Bonds1

About 5-ethynyl-2-methoxy-3-methylpyridine

5-ethynyl-2-methoxy-3-methylpyridine (PubChem CID 71300062) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-ethynyl-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name5-ethynyl-2-methoxy-3-methylpyridine
PubChem CID71300062
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-ethynyl-2-methoxy-3-methylpyridine
SMILESC#Cc1cnc(OC)c(C)c1
InChIInChI=1S/C9H9NO/c1-4-8-5-7(2)9(11-3)10-6-8/h1,5-6H,2-3H3
InChIKeyCFCJMAFXIGZJNP-UHFFFAOYSA-N
XLogP1.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.38
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 5-ethynyl-2-methoxy-3-methylpyridine?
The IUPAC name of 5-ethynyl-2-methoxy-3-methylpyridine (CID 71300062) is 5-ethynyl-2-methoxy-3-methylpyridine.
What is the SMILES notation for 5-ethynyl-2-methoxy-3-methylpyridine?
The canonical SMILES for 5-ethynyl-2-methoxy-3-methylpyridine is C#Cc1cnc(OC)c(C)c1.
What is the InChIKey of 5-ethynyl-2-methoxy-3-methylpyridine?
The InChIKey is CFCJMAFXIGZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-4-8-5-7(2)9(11-3)10-6-8/h1,5-6H,2-3H3.
What are the key properties of 5-ethynyl-2-methoxy-3-methylpyridine?
5-ethynyl-2-methoxy-3-methylpyridine has a molecular weight of 147.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-methoxy-3-methylpyridine is sourced from PubChem (CID 71300062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).