1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol

C13H17NO — CID 105126569

IUPAC1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1ccc(C)nc1C
InChIInChI=1S/C13H17NO/c1-4-5-6-7-13(15)12-9-8-10(2)14-11(12)3/h8-9,13,15H,6-7H2,1-3H3
InChIKeyXVYRMRLKDBEPJR-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.54
Rot. Bonds3

About 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol

1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol (PubChem CID 105126569) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol
PubChem CID105126569
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1ccc(C)nc1C
InChIInChI=1S/C13H17NO/c1-4-5-6-7-13(15)12-9-8-10(2)14-11(12)3/h8-9,13,15H,6-7H2,1-3H3
InChIKeyXVYRMRLKDBEPJR-UHFFFAOYSA-N
XLogP2.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol 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

1-(2,6-dimethyl-3-pyridinyl)-N-methylhex-4-yn-1-amine
CID 105181422
1-(2,6-dimethyl-3-pyridinyl)pentan-1-ol
CID 105085207
1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
CID 105086146
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
CID 105112231
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
1-(4-methylthiophen-3-yl)hex-4-yn-1-ol
CID 104804116
1-(2,3-dichlorophenyl)hex-4-yn-1-ol
CID 104809418
1-(2,4-dibromophenyl)hex-4-yn-1-ol
CID 107947793
1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine
CID 105112281
1-(2,6-dimethylphenyl)hex-4-yn-1-ol
CID 104809723
1-(2-bromo-4-chlorophenyl)hex-4-yn-1-ol
CID 104809657

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol (CID 105126569) is 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol is CC#CCCC(O)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol?
The InChIKey is XVYRMRLKDBEPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-5-6-7-13(15)12-9-8-10(2)14-11(12)3/h8-9,13,15H,6-7H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol?
1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol is sourced from PubChem (CID 105126569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).