2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol

C13H14N2O — CID 141279218

IUPAC2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol
SMILESCc1c(C#CC(C)(C)O)ccc2nccn12
InChIInChI=1S/C13H14N2O/c1-10-11(6-7-13(2,3)16)4-5-12-14-8-9-15(10)12/h4-5,8-9,16H,1-3H3
InChIKeyYIAIEHDXLUPTKW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.77
Rot. Bonds

About 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol

2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol (PubChem CID 141279218) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol
PubChem CID141279218
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol
SMILESCc1c(C#CC(C)(C)O)ccc2nccn12
InChIInChI=1S/C13H14N2O/c1-10-11(6-7-13(2,3)16)4-5-12-14-8-9-15(10)12/h4-5,8-9,16H,1-3H3
InChIKeyYIAIEHDXLUPTKW-UHFFFAOYSA-N
XLogP1.77
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol?
The IUPAC name of 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol (CID 141279218) is 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol.
What is the SMILES notation for 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol?
The canonical SMILES for 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol is Cc1c(C#CC(C)(C)O)ccc2nccn12.
What is the InChIKey of 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol?
The InChIKey is YIAIEHDXLUPTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-11(6-7-13(2,3)16)4-5-12-14-8-9-15(10)12/h4-5,8-9,16H,1-3H3.
What are the key properties of 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol?
2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol has a molecular weight of 214.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methylimidazo[1,2-a]pyridin-6-yl)but-3-yn-2-ol is sourced from PubChem (CID 141279218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).