4-(6-methyl-2-pyridinyl)but-3-yn-2-ol

C10H11NO — CID 11263664

IUPAC4-(6-methyl-2-pyridinyl)but-3-yn-2-ol
SMILESCc1cccc(C#CC(C)O)n1
InChIInChI=1S/C10H11NO/c1-8-4-3-5-10(11-8)7-6-9(2)12/h3-5,9,12H,1-2H3
InChIKeyVBPYZNPOOPUORH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.12
Rot. Bonds

About 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol

4-(6-methyl-2-pyridinyl)but-3-yn-2-ol (PubChem CID 11263664) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)but-3-yn-2-ol
PubChem CID11263664
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-(6-methyl-2-pyridinyl)but-3-yn-2-ol
SMILESCc1cccc(C#CC(C)O)n1
InChIInChI=1S/C10H11NO/c1-8-4-3-5-10(11-8)7-6-9(2)12/h3-5,9,12H,1-2H3
InChIKeyVBPYZNPOOPUORH-UHFFFAOYSA-N
XLogP1.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methylpyridazin-3-yl)but-3-yn-2-ol
CID 122242531
4-(6-methyl-2-pyridinyl)but-3-yn-2-one
CID 68576773
4-(6-methyl-2-phenylpyrimidin-4-yl)but-3-yn-2-ol
CID 15933908
2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole
CID 67030887
2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine
CID 18763105
2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine
CID 11323067
6-(3-methylbut-1-ynyl)pyridine-2-carboxylic acid
CID 176629064
4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol
CID 122242539
2,6-dimethylpyridine;sulfane
CID 134564621
2,6-dimethylpyridine;ethane
CID 54453947
4-(3-hydroxybut-1-ynyl-methyl-phenylsilyl)but-3-yn-2-ol
CID 71399348
2-methyl-6-propan-2-ylpyridine
CID 12791785

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol?
The IUPAC name of 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol (CID 11263664) is 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol is Cc1cccc(C#CC(C)O)n1.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol?
The InChIKey is VBPYZNPOOPUORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-4-3-5-10(11-8)7-6-9(2)12/h3-5,9,12H,1-2H3.
What are the key properties of 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol?
4-(6-methyl-2-pyridinyl)but-3-yn-2-ol has a molecular weight of 161.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)but-3-yn-2-ol is sourced from PubChem (CID 11263664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).