1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol

C12H15NO2 — CID 105124708

IUPAC1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
SMILESC#CCCCC(O)c1cccnc1OC
InChIInChI=1S/C12H15NO2/c1-3-4-5-8-11(14)10-7-6-9-13-12(10)15-2/h1,6-7,9,11,14H,4-5,8H2,2H3
InChIKeyIRSPBDOWWWQIOQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol

1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol (PubChem CID 105124708) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
PubChem CID105124708
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
SMILESC#CCCCC(O)c1cccnc1OC
InChIInChI=1S/C12H15NO2/c1-3-4-5-8-11(14)10-7-6-9-13-12(10)15-2/h1,6-7,9,11,14H,4-5,8H2,2H3
InChIKeyIRSPBDOWWWQIOQ-UHFFFAOYSA-N
XLogP1.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082597
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
2-(2,6-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105084678
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol
CID 105100853
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol
CID 171893593
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105088376
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine
CID 105181377
3-butan-2-yl-2-methoxypyridine
CID 130368185

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol (CID 105124708) is 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol is C#CCCCC(O)c1cccnc1OC.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol?
The InChIKey is IRSPBDOWWWQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-4-5-8-11(14)10-7-6-9-13-12(10)15-2/h1,6-7,9,11,14H,4-5,8H2,2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol?
1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol has a molecular weight of 205.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol is sourced from PubChem (CID 105124708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).