3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol

C11H13NO3 — CID 146317438

IUPAC3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol
SMILESCOC(OC)c1cc(C#CCO)ccn1
InChIInChI=1S/C11H13NO3/c1-14-11(15-2)10-8-9(4-3-7-13)5-6-12-10/h5-6,8,11,13H,7H2,1-2H3
InChIKeyZWXZEUHJDNUKTK-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.72
Rot. Bonds3

About 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol

3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol (PubChem CID 146317438) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol
PubChem CID146317438
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol
SMILESCOC(OC)c1cc(C#CCO)ccn1
InChIInChI=1S/C11H13NO3/c1-14-11(15-2)10-8-9(4-3-7-13)5-6-12-10/h5-6,8,11,13H,7H2,1-2H3
InChIKeyZWXZEUHJDNUKTK-UHFFFAOYSA-N
XLogP0.72
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol (CID 146317438) is 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol is COC(OC)c1cc(C#CCO)ccn1.
What is the InChIKey of 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol?
The InChIKey is ZWXZEUHJDNUKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-11(15-2)10-8-9(4-3-7-13)5-6-12-10/h5-6,8,11,13H,7H2,1-2H3.
What are the key properties of 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol?
3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol has a molecular weight of 207.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 146317438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).