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

C10H11NO — CID 86693091

IUPAC2-(3-methyl-2-pyridinyl)but-3-yn-2-ol
SMILESC#CC(C)(O)c1ncccc1C
InChIInChI=1S/C10H11NO/c1-4-10(3,12)9-8(2)6-5-7-11-9/h1,5-7,12H,2-3H3
InChIKeyXBRVBIOZVCTPGS-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.23
Rot. Bonds1

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

2-(3-methyl-2-pyridinyl)but-3-yn-2-ol (PubChem CID 86693091) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)but-3-yn-2-ol
PubChem CID86693091
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(3-methyl-2-pyridinyl)but-3-yn-2-ol
SMILESC#CC(C)(O)c1ncccc1C
InChIInChI=1S/C10H11NO/c1-4-10(3,12)9-8(2)6-5-7-11-9/h1,5-7,12H,2-3H3
InChIKeyXBRVBIOZVCTPGS-UHFFFAOYSA-N
XLogP1.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.23
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

2-methyl-2-(3-methyl-2-pyridinyl)propanenitrile
CID 53485450
2-pyridin-2-ylbut-3-yn-2-ol
CID 16762502
2-(3-tert-butyl-2-pyridinyl)propan-2-ol
CID 166568505
(3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid
CID 130624743
N,3-dimethyl-2-(3-methyl-2-pyridinyl)butan-2-amine
CID 164876217
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
3-(2-methylphenyl)penta-1,4-diyn-3-ol
CID 121007327
2-methyl-1-[(3-methyl-2-pyridinyl)amino]propan-2-ol
CID 65109200
2-(3,4-dimethylphenyl)but-3-yn-2-ol
CID 64915958
2-(3,4-dimethyl-2-pyridinyl)propan-2-ol
CID 174374699
2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane
CID 159848930
1,1,1-trifluoro-2-(2-methyl-3-pyridinyl)propan-2-ol
CID 127017192

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol?
The IUPAC name of 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol (CID 86693091) is 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol is C#CC(C)(O)c1ncccc1C.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol?
The InChIKey is XBRVBIOZVCTPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-4-10(3,12)9-8(2)6-5-7-11-9/h1,5-7,12H,2-3H3.
What are the key properties of 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol?
2-(3-methyl-2-pyridinyl)but-3-yn-2-ol has a molecular weight of 161.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)but-3-yn-2-ol is sourced from PubChem (CID 86693091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).