5-but-3-ynoxy-2-methylpyridine

C10H11NO — CID 130668166

IUPAC5-but-3-ynoxy-2-methylpyridine
SMILESC#CCCOc1ccc(C)nc1
InChIInChI=1S/C10H11NO/c1-3-4-7-12-10-6-5-9(2)11-8-10/h1,5-6,8H,4,7H2,2H3
InChIKeyHQUVDMRCRIWVEM-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.79
Rot. Bonds3

About 5-but-3-ynoxy-2-methylpyridine

5-but-3-ynoxy-2-methylpyridine (PubChem CID 130668166) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-but-3-ynoxy-2-methylpyridine.

Molecular Properties

Compound Name5-but-3-ynoxy-2-methylpyridine
PubChem CID130668166
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-but-3-ynoxy-2-methylpyridine
SMILESC#CCCOc1ccc(C)nc1
InChIInChI=1S/C10H11NO/c1-3-4-7-12-10-6-5-9(2)11-8-10/h1,5-6,8H,4,7H2,2H3
InChIKeyHQUVDMRCRIWVEM-UHFFFAOYSA-N
XLogP1.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-but-3-ynoxy-2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pozanicline
CID 178052
3-Methoxypyridine
CID 23719
3-Pyridyl acetate
CID 87289
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
2-Fluoro-A-85380
CID 10241442
[3H]methoxy-PEPy
CID 10910934
2-Ethoxypyridine
CID 84499
2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18
CID 450860
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862

Frequently Asked Questions

What is the IUPAC name of 5-but-3-ynoxy-2-methylpyridine?
The IUPAC name of 5-but-3-ynoxy-2-methylpyridine (CID 130668166) is 5-but-3-ynoxy-2-methylpyridine.
What is the SMILES notation for 5-but-3-ynoxy-2-methylpyridine?
The canonical SMILES for 5-but-3-ynoxy-2-methylpyridine is C#CCCOc1ccc(C)nc1.
What is the InChIKey of 5-but-3-ynoxy-2-methylpyridine?
The InChIKey is HQUVDMRCRIWVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-4-7-12-10-6-5-9(2)11-8-10/h1,5-6,8H,4,7H2,2H3.
What are the key properties of 5-but-3-ynoxy-2-methylpyridine?
5-but-3-ynoxy-2-methylpyridine has a molecular weight of 161.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-ynoxy-2-methylpyridine is sourced from PubChem (CID 130668166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).